Compound Info
NAs Base Info
ID Cluster Name Target MolWt
Compound Structure
NAs.000995 7 OLOMOUCINE
Target name Tax id
Cyclin-dependent kinase-like 1 10359.0
Cyclin-dependent kinase 2 10359.0
Serine/threonine-protein kinase 17A 10359.0
Dual specificty protein kinase CLK1 10359.0
Casein kinase I isoform gamma-3 10359.0
MAP kinase ERK2 10359.0
Dopamine D1 receptor 10359.0
CaM-kinase kinase beta 10359.0
CaM kinase I delta 10359.0
Serine/threonine-protein kinase PIM1 10359.0
3-phosphoinositide dependent protein kinase-1 10359.0
Protein kinase Pfmrk 10359.0
Cyclin-dependent kinase 2/cyclin E1 10359.0
Serine/threonine-protein kinase 38 10359.0
Epidermal growth factor receptor erbB1 10359.0
Myotonin-protein kinase 10359.0
MAP kinase ERK1 10359.0
Serine/threonine-protein kinase PIM2 10359.0
Cytochrome P450 1A2 10359.0
Mitogen-activated protein kinase 6 10359.0
Inactive serine/threonine-protein kinase VRK3 10359.0
Voltage-gated N-type calcium channel alpha-1B subunit 10359.0
Cyclin-dependent kinase 2/cyclin A 10359.0
Dual specificity protein kinase CLK3 10359.0
Serine/threonine-protein kinase PIM3 10359.0
Serine/threonine-protein kinase PLK1 10359.0
PDZ-binding kinase 10359.0
Mitogen-activated protein kinase kinase kinase 5 10359.0
Cyclin-dependent kinase 4/cyclin D 10359.0
CaM kinase II alpha 10359.0
Aldehyde dehydrogenase 1A1 10359.0
CaM kinase II beta 10359.0
Dual specificity mitogen-activated protein kinase kinase 2 10359.0
AMP-activated protein kinase 10359.0
alpha-2 subunit 10359.0
Serine/threonine-protein kinase RIO2 10359.0
Serine/threonine-protein kinase PCTAIRE-1 10359.0
Cyclin-dependent kinase 4/cyclin D1 10359.0
Protein kinase C (PKC) 10359.0
Tyrosyl-DNA phosphodiesterase 1 10359.0
CaM kinase II delta 10359.0
Cyclin-dependent kinase 5/CDK5 activator 1 10359.0
CaM kinase IV 10359.0
Serine/threonine-protein kinase 25 10359.0
Serine/threonine-protein kinase PAK6 10359.0
Serine/threonine-protein kinase NEK2 10359.0
Serine/threonine-protein kinase NEK6 10359.0
Ribosomal protein S6 kinase alpha 3 10359.0
Casein kinase I gamma 2 10359.0
Tyrosine-protein kinase JAK1 10359.0
Cytochrome P450 3A4 10359.0
Anthrax lethal factor 10359.0
Cyclin-dependent kinase 6 10359.0
Lysosomal alpha-glucosidase 10359.0
Cyclin-dependent kinase 1/cyclin B1 10359.0
Microtubule-associated protein tau 10359.0
Casein kinase I gamma 1 10359.0
cAMP-dependent protein kinase (PKA) 10359.0
Serine/threonine-protein kinase VRK1 10359.0
Death-associated protein kinase 3 10359.0
Cytochrome P450 2C19 10359.0
Serine/threonine-protein kinase 10 10359.0
Nuclear factor NF-kappa-B p105 subunit 10359.0
Glycogen synthase kinase-3 beta 10359.0
Cyclin-dependent kinase 1/cyclin B 10359.0
Serine/threonine-protein kinase PAK 4 10359.0
Survival motor neuron protein 10359.0
CaM kinase I gamma 10359.0
Dual specificity mitogen-activated protein kinase kinase 6 10359.0
Cerebroside-sulfatase 10359.0
Serine/threonine-protein kinase OSR1 10359.0
Cytochrome P450 2D6 10359.0
Serine/threonine-protein kinase 2 10359.0
MAP kinase p38 beta 10359.0
Cyclin-dependent kinase 5 10359.0
Arachidonate 15-lipoxygenase 10359.0
CaM kinase II gamma 10359.0
Serine/threonine-protein kinase 16 10359.0
TRAF2- and NCK-interacting kinase 10359.0
Replicase polyprotein 1ab 10359.0
Cyclin-dependent kinase 4 10359.0
Dual specificity protein kinase CLK2 10359.0
Serine/threonine-protein kinase MST1 10359.0
Serine/threonine-protein kinase PAK7 10359.0
Serine/threonine-protein kinase VRK2 10359.0
CDK6/cyclin D3 10359.0
Serine/threonine-protein kinase MST4 10359.0
Cyclin-dependent kinase 1 10359.0
Cytochrome P450 2C9 10359.0
Cyclin-dependent kinase 2/cyclin E 10359.0
Serine/threonine-protein kinase Chk2 10359.0
cAMP-dependent protein kinase alpha-catalytic subunit 10359.0
Serine/threonine-protein kinase PLK4 10359.0
Lysine-specific demethylase 4D-like 10359.0
298.350
Chemical Representations
InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
InChI Key GTVPOLSIJWJJNY-UHFFFAOYSA-N
SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21
Molecular Formula C15H18N6O
Functional Fragments
Base Ribose Phosphate
Base Structure
Unmatch
No Image Available
Match
Calculated Properties
logP 1.380 Computed by RDKit
Heavy Atom Count 22 Computed by RDKit
Ring Count 3 Computed by RDKit
Hydrogen Bond Acceptor Count 7 Computed by RDKit
Hydrogen Bond Donor Count 3 Computed by RDKit
Rotatable Bond Count 6 Computed by RDKit
Topological Polar Surface Area 87.890 Computed by RDKit
Activity Data
Target Activity type Relation Value Unit Assay Source
Cyclin-dependent kinase 1 IC50 = 4600.0 nM Inhibition of Cyclin-dependent kinase 1 CHEMBL1133758
Cyclin-dependent kinase 2 IC50 = 1200.0 nM Inhibition of Cyclin-dependent kinase 2 CHEMBL1133758
Cyclin-dependent kinase 1/cyclin B1 IC50 = 7000.0 nM Inhibition of Cyclin-dependent kinase 1-cyclin B1 CHEMBL1133502
Cyclin-dependent kinase 2/cyclin E IC50 = 7000.0 nM Inhibition of Cyclin-dependent kinase 2-cyclin E CHEMBL1133502
Cyclin-dependent kinase 4/cyclin D1 IC50 = 1000000.0 nM Inhibition of Cyclin-dependent kinase 4-cyclin D1 CHEMBL1133502
Unchecked IC50 = 30000.0 nM Inhibition of Mitogen-activated protein kinase CHEMBL1133502
Unchecked IC50 = 2000000.0 nM Inhibition of PKA kinase CHEMBL1133502
Protein kinase C (PKC) IC50 = 1000000.0 nM Inhibition of rat brain PKC kinase CHEMBL1133502
Epidermal growth factor receptor erbB1 IC50 = 440000.0 nM Inhibition of Epidermal growth factor receptor CHEMBL1133502
Cyclin-dependent kinase 1 IC50 = 6000.0 nM Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis. CHEMBL1130316
Cyclin-dependent kinase 1/cyclin B1 IC50 = 7000.0 nM Inhibition of Cyclin-dependent kinase 1-cyclin B1 from starfish. CHEMBL1130775
Cyclin-dependent kinase 1 IC50 = 7000.0 nM Inhibition of Cyclin-dependent kinase 1 (CDK1) CHEMBL1133090
Cyclin-dependent kinase 5 IC50 = 3000.0 nM Inhibitory activity against Cyclin-dependent kinase 5 CHEMBL1133090
Cyclin-dependent kinase 2/cyclin E IC50 = 7000.0 nM Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E CHEMBL1129208
Cyclin-dependent kinase 4 IC50 > 200000.0 nM Inhibition of Cyclin-dependent kinase 4 (CDK4/cyclin Dl) CHEMBL1133408
Cyclin-dependent kinase 2 IC50 = 7000.0 nM Inhibition of Cyclin-dependent kinase 2 (CDK2/cyclin A) CHEMBL1133408
A549 IC50 = 57.0 ug.mL-1 Inhibition of A549 cancer cell proliferation CHEMBL1133408
COLO1 IC50 = 87.0 ug.mL-1 Inhibition of Col1 cancer cell proliferation CHEMBL1133408
HL-60 IC50 = 50.0 ug.mL-1 Inhibition of HL60 cancer cell proliferation CHEMBL1133408
HepG2 IC50 ug.mL-1 Inhibition of HepG2 cancer cell proliferation (Not tested) CHEMBL1133408
Cyclin-dependent kinase 1/cyclin B IC50 = 7000.0 nM Inhibition of Cyclin B-cyclin-dependent kinase 1 CHEMBL1135432
Cyclin-dependent kinase 2/cyclin A IC50 = 7000.0 nM Inhibition of Cyclin A-cyclin-dependent kinase 2 CHEMBL1135432
Cyclin-dependent kinase 2/cyclin E IC50 = 7000.0 nM Inhibition of Cyclin E-cyclin-dependent kinase 2 CHEMBL1135432
Cyclin-dependent kinase 4/cyclin D1 IC50 > 1000000.0 nM Inhibition of Cyclin D1-cyclin-dependent kinase 4 CHEMBL1135432
MAP kinase ERK1 IC50 = 30000.0 nM Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1) CHEMBL1135432
MAP kinase ERK2 IC50 = 7000.0 nM Inhibition of Mitogen-activated protein kinase 1 (MAPK-ERK2) CHEMBL1135432
cAMP-dependent protein kinase (PKA) IC50 > 2000000.0 nM Inhibition of cAMP-dependent protein kinase CHEMBL1135432
Unchecked IC50 > 2000000.0 nM Inhibition of cGMP-dependent protein kinase CHEMBL1135432
Cyclin-dependent kinase 1/cyclin B IC50 = 7000.0 nM Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B CHEMBL1134966
MCF7 IC50 = 132000.0 nM In vitro cytotoxic effect on MCF-7 cancer cell line CHEMBL1134966
K562 IC50 > 167000.0 nM In vitro cytotoxic effect on K562 cancer cell line CHEMBL1134966
CCRF-CEM IC50 = 62000.0 nM In vitro cytotoxic effect on CEM cancer cell line CHEMBL1134966
HOS IC50 = 149000.0 nM In vitro cytotoxic effect on HOS cancer cell line CHEMBL1134966
G-361 IC50 = 160000.0 nM In vitro cytotoxic effect on G361 cancer cell line CHEMBL1134966
Cyclin-dependent kinase 2/cyclin E IC50 = 10000.0 nM Inhibition of Cyclin E-cyclin-dependent kinase 2 CHEMBL1133270
Cyclin-dependent kinase 1/cyclin B IC50 = 7000.0 nM In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex from starfish oocytes CHEMBL1132992
Cyclin-dependent kinase 1/cyclin B IC50 = 7000.0 nM Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B CHEMBL1136198
Cyclin-dependent kinase 1/cyclin B IC50 = 163000.0 nM In vitro antiproliferative activity against myeloid leukemia K562 cell line CHEMBL1136198
Cyclin-dependent kinase 1/cyclin B ID50 = 7.0 uM Inhibition of Cyclin-dependent kinase 1-cyclin B CHEMBL1133166
Cyclin-dependent kinase 2/cyclin E ID50 = 7.0 uM Inhibition of Cyclin-dependent kinase 2-cyclin E CHEMBL1133166
Cyclin-dependent kinase 4/cyclin D IA Inhibition of Cyclin-dependent kinase 4-cyclin D (Inactive) CHEMBL1133166
Cyclin-dependent kinase 5/CDK5 activator 1 IC50 = 7000.0 nM Inhibition of Cyclin-dependent kinase 5-p35nck5a CHEMBL1135277
Protein kinase Pfmrk IC50 > 1000000.0 nM Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk CHEMBL1145071
Plasmodium falciparum IC50 = 8000.0 nM Inhibitory activity against Plasmodium falciparum W2 CHEMBL1145071
Plasmodium falciparum IC50 = 2700.0 nM Inhibitory activity against Plasmodium falciparum D6 CHEMBL1145071
Protein kinase Pfmrk IC50 = 1100000.0 nM Inhibition of Plasmodium falciparum cyclin-dependent kinase CHEMBL1138793
Unchecked IC50 = 7000.0 nM Inhibitory concentration against CDK1/Cyclin B complex from Marthasterias glacialis M-phase oocytes CHEMBL1140371
Cyclin-dependent kinase 2/cyclin E IC50 = 5000.0 nM Inhibition of CDK2/Cyclin E in presence of 15 uM ATP CHEMBL1137343
MCF7 IC50 = 134000.0 nM Antiproliferative activity against MCF7 cell line CHEMBL1137343
HOS IC50 = 144000.0 nM Antiproliferative activity against HOS cell line CHEMBL1137343
G-361 IC50 = 147000.0 nM Antiproliferative activity against G361 cell line CHEMBL1137343
K562 IC50 = 145000.0 nM Antiproliferative activity against K562 cell line CHEMBL1137343
Cyclin-dependent kinase 1/cyclin B1 IC50 = 7000.0 nM Inhibition of CDK1/cyclin B by MESACUP assay CHEMBL1141588
Unchecked IC50 = 7000.0 nM Inhibition of Cdk1/cyclin B CHEMBL1145498
Unchecked IC50 = 7000.0 nM Inhibition Cdk2/cyclin A CHEMBL1145498
Unchecked IC50 = 7000.0 nM Inhibition of p33cdk2/cyclin E CHEMBL1145498
Unchecked IC50 = 3000.0 nM Inhibition of Cdk5/p35 CHEMBL1145498
Unchecked IC50 = 25000.0 nM Inhibition of MAPK CHEMBL1145498
Unchecked IC50 > 1000000.0 nM Inhibition of Cdk4/cyclin D CHEMBL1145498
CDK6/cyclin D3 IC50 > 250000.0 nM Inhibition of Cdk6/cyclin D3 CHEMBL1145498
Unchecked IC50 = 1000000.0 nM Inhibition of cyclin dependent kinase CHEMBL1149915
Unchecked Ki = 1800000.0 nM Inhibition of Escherichia coli D-alanine-D-alanine ligase B after 15 mins by Lineweaver-Burke plot CHEMBL1140982
Unchecked Inhibition = 79.7 % Inhibition of ATP binding site of Escherichia coli D-alanine-D-alanine ligase B assessed as residual activity at 2 mM preincubated for 30 mins by ATP competitive malachite green assay CHEMBL1140982
Unchecked IC50 = 7000.0 nM Inhibition of CDK2/Cyclin A CHEMBL1140982
Cyclin-dependent kinase 2 IC50 = 7000.0 nM Inhibition of CDK2/Cyclin B CHEMBL1140982
Cyclin-dependent kinase 2 IC50 = 7000.0 nM Inhibition of CDK2/Cyclin E CHEMBL1140982
MAP kinase ERK1 IC50 = 25000.0 nM Inhibition of ERK1/MAPK CHEMBL1140982
Simplexvirus IC50 = 100000.0 nM Antiviral activity against Herpes simplex virus CHEMBL1136837
Cyclin-dependent kinase 2/cyclin A IC50 = 10000.0 nM Inhibition of recombinant CDK2/cyclin A CHEMBL1154643
Cyclin-dependent kinase 2/cyclin E IC50 = 10000.0 nM Inhibition of recombinant CDK2/cyclin E CHEMBL1154643
NON-PROTEIN TARGET GI50 = 65000.0 nM Antiproliferative activity against human HeLaS3 cells by sulforhodamine B assay CHEMBL1154643
Cyclin-dependent kinase 2/cyclin A IC50 = 7000.0 nM Inhibition of human recombinant CDK2/cyclin A expressed in baculovirus-infected insect Sf21 cells after 10 mins CHEMBL1154872
SK-LU-1 IC50 = 68100.0 nM Cytotoxicity against human SK-LU-1 cells after 48 hrs by SRB assay CHEMBL1154874
MCF7 IC50 = 55900.0 nM Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay CHEMBL1154874
HCT-15 IC50 = 62500.0 nM Cytotoxicity against human HCT15 cells after 48 hrs by SRB assay CHEMBL1154874
K562 IC50 = 89300.0 nM Cytotoxicity against human K562 cells after 48 hrs by SRB assay CHEMBL1154874
PC-3 IC50 = 81000.0 nM Cytotoxicity against human PC3 cells after 48 hrs by SRB assay CHEMBL1154874
U-251 IC50 = 81500.0 nM Cytotoxicity against human U251 cells after 48 hrs by SRB assay CHEMBL1154874
SK-LU-1 GI = 36.9 % Cytotoxicity against human SK-LU-1 cells assessed as cell growth inhibition at 50 uM after 48 hrs by SRB assay CHEMBL1154874
MCF7 GI = 37.6 % Cytotoxicity against human MCF7 cells assessed as cell growth inhibition at 50 uM after 48 hrs by SRB assay CHEMBL1154874
HCT-15 GI = 28.9 % Cytotoxicity against human HCT15 cells assessed as cell growth inhibition at 50 uM after 48 hrs by SRB assay CHEMBL1154874
K562 GI = 19.8 % Cytotoxicity against human K562 cells assessed as cell growth inhibition at 50 uM after 48 hrs by SRB assay CHEMBL1154874
PC-3 GI = 22.7 % Cytotoxicity against human PC3 cells assessed as cell growth inhibition at 50 uM after 48 hrs by SRB assay CHEMBL1154874
U-251 GI = 32.0 % Cytotoxicity against human U251 cells assessed as cell growth inhibition at 50 uM after 48 hrs by SRB assay CHEMBL1154874
MCF7 Activity = 60.6 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G0/G1 phase at 2 times IC50 concentration after 24 hrs using propidium iodide staining by flow cytometry relative to control CHEMBL1154874
MCF7 Activity = 15.0 % Cell cycle arrest in human MCF7 cells assessed as accumulation at S phase at 2 times IC50 concentration after 24 hrs using propidium iodide staining by flow cytometry relative to control CHEMBL1154874
MCF7 Activity = 23.2 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G2/M phase at 2 times IC50 concentration after 24 hrs using propidium iodide staining by flow cytometry relative to control CHEMBL1154874
SK-LU-1 Activity = 44.2 % Cell cycle arrest in human SK-LU-1 cells assessed as accumulation at G0/G1 phase at 2 times IC50 concentration after 24 hrs using propidium iodide staining by flow cytometry relative to control CHEMBL1154874
SK-LU-1 Activity = 19.7 % Cell cycle arrest in human SK-LU-1 cells assessed as accumulation at S phase at 2 times IC50 concentration after 24 hrs using propidium iodide staining by flow cytometry relative to control CHEMBL1154874
SK-LU-1 Activity = 31.8 % Cell cycle arrest in human SK-LU-1 cells assessed as accumulation at G2/M phase at 2 times IC50 concentration after 24 hrs using propidium iodide staining by flow cytometry relative to control CHEMBL1154874
Cyclin-dependent kinase 1/cyclin B1 GI = 50.0 % Inhibition of CDK1/cyclin B at 7 uM CHEMBL1154874
Cyclin-dependent kinase 2/cyclin E1 GI = 51.0 % Inhibition of CDK2/cyclin E at 7 uM CHEMBL1154874
SK-LU-1 Activity = 44.2 % Cell cycle arrest in human SK-LU-1 cells assessed as accumulation at G1 phase after 24 hrs by flow cytometry CHEMBL1153702
SK-LU-1 Activity = 19.7 % Cell cycle arrest in human SK-LU-1 cells assessed as accumulation at S phase after 24 hrs by flow cytometry CHEMBL1153702
SK-LU-1 Activity = 31.8 % Cell cycle arrest in human SK-LU-1 cells assessed as accumulation at G2/M phase after 24 hrs by flow cytometry CHEMBL1153702
MCF7 Activity = 60.6 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G1 phase after 24 hrs by flow cytometry CHEMBL1153702
MCF7 Activity = 15.1 % Cell cycle arrest in human MCF7 cells assessed as accumulation at S phase after 24 hrs by flow cytometry CHEMBL1153702
MCF7 Activity = 23.2 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G2/M phase after 24 hrs by flow cytometry CHEMBL1153702
Cyclin-dependent kinase 1/cyclin B1 Inhibition = 48.0 % Inhibition of human CDK1/cyclinB at 7 uM CHEMBL1153702
Cyclin-dependent kinase 2/cyclin A Inhibition = 43.0 % Inhibition of human CDK2/cyclinA at 7 uM CHEMBL1153702
Cyclin-dependent kinase 1/cyclin B1 IC50 = 7000.0 nM Inhibition of human CDK1/cyclinB CHEMBL1153702
Plasmodium falciparum IC50 = 3000.0 nM Antimicrobial activity against Plasmodium falciparum CHEMBL1212812
Cyclin-dependent kinase 1/cyclin B1 IC50 = 7000.0 nM Inhibition of human GST-CDK1/cyclin B1 expressed in baculovirus using [gamma-33P]ATP after 45 mins by liquid scintillation counting CHEMBL1240477
Cyclin-dependent kinase 5 IC50 = 3000.0 nM Inhibition of CDK5 CHEMBL1240533
Cyclin-dependent kinase 4 IC50 > 100000.0 nM Inhibition of CDK4 CHEMBL1240533
Cyclin-dependent kinase 2 IC50 = 7000.0 nM Inhibition of CDK2 CHEMBL1240533
Cyclin-dependent kinase 1 IC50 = 7000.0 nM Inhibition of CDK1 CHEMBL1240533
Unchecked Inhibition % Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay CHEMBL1255231
Plasmodium falciparum IC50 = 6309.57 nM Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay CHEMBL1255382
Plasmodium falciparum IC50 = 10000.0 nM Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay CHEMBL1255382
Nuclear factor NF-kappa-B p105 subunit Potency = 6309.6 nM PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for NFkB Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 895 ] CHEMBL1201862
NON-PROTEIN TARGET Potency = 4466.8 nM PUBCHEM_BIOASSAY: qHTS for differential inhibitors of proliferation of Plasmodium falciparum line 3D7. (Class of assay: confirmatory) [Related PubChem assays: 1815 (Assay for Plasmodium falciparum line 7G8), 1816 (Assay for Plasmodium falciparum line GB4), 1828 (Summary assay)] CHEMBL1201862
Lysine-specific demethylase 4D-like Potency = 25118.9 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) CHEMBL1201862
Survival motor neuron protein Potency = 31622.8 nM PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) CHEMBL1201862
Survival motor neuron protein Potency = 891.3 nM PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) CHEMBL1201862
Survival motor neuron protein Potency = 25118.9 nM PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency = 89.1 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) CHEMBL1201862
NON-PROTEIN TARGET Potency = 8912.5 nM PUBCHEM_BIOASSAY: qHTS for differential inhibitors of proliferation of Plasmodium falciparum line W2. (Class of assay: confirmatory) [Related PubChem assays: 1815 (Assay for Plasmodium falciparum line 7G8), 1877 (Assay for Plasmodium falciparum line D10), 1816 (Assay for Plasmodium falciparum line GB4), 1876 (Assay for Plasmodium falciparum line 7D3), 1828 (Summary assay)] CHEMBL1201862
Aldehyde dehydrogenase 1A1 Potency = 44668.4 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] CHEMBL1201862
NON-PROTEIN TARGET Potency = 6309.6 nM PUBCHEM_BIOASSAY: qHTS for differential inhibitors of proliferation of Plasmodium falciparum line GB4. (Class of assay: confirmatory) CHEMBL1201862
Lysosomal alpha-glucosidase Potency = 14125.4 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] CHEMBL1201862
Arachidonate 15-lipoxygenase Potency = 15848.9 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) CHEMBL1201862
Microtubule-associated protein tau Potency = 44668.4 nM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] CHEMBL1201862
NON-PROTEIN TARGET Potency = 794.3 nM PUBCHEM_BIOASSAY: qHTS for differential inhibitors of proliferation of Plasmodium falciparum line D10. (Class of assay: confirmatory) [Related PubChem assays: 1815 (Assay for Plasmodium falciparum line 7G8), 1816 (Assay for Plasmodium falciparum line GB4), 1828 (Summary assay)] CHEMBL1201862
Nuclear factor NF-kappa-B p105 subunit Potency = 6309.6 nM PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for NFkB Signaling Pathway. (Class of assay: confirmatory) CHEMBL1201862
Anthrax lethal factor Potency = 12589.3 nM PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) CHEMBL1201862
Cytochrome P450 2D6 Potency = 1258.9 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] CHEMBL1201862
NON-PROTEIN TARGET Potency = 2818.4 nM PUBCHEM_BIOASSAY: qHTS for differential inhibitors of proliferation of Plasmodium falciparum line HB3. (Class of assay: confirmatory) [Related PubChem assays: 1815 (Assay for Plasmodium falciparum line 7G8), 1877 (Assay for Plasmodium falciparum line D10), 1816 (Assay for Plasmodium falciparum line GB4), 1876 (Assay for Plasmodium falciparum line 3D7), 1828 (Summary assay)] CHEMBL1201862
Cytochrome P450 3A4 Potency = 15848.9 nM PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] CHEMBL1201862
Cytochrome P450 2D6 Potency = 3162.3 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] CHEMBL1201862
Cytochrome P450 3A4 Potency = 15848.9 nM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] CHEMBL1201862
Unchecked Potency = 2238.7 nM PUBCHEM_BIOASSAY: qHTS Assay for Lipid Storage Modulators. (Class of assay: confirmatory) CHEMBL1201862
Dopamine D1 receptor Potency 3.7 nM PUBCHEM_BIOASSAY: HTS Assay for Allosteric Agonists of the Human D1 Dopamine Receptor: Primary Screen for Potentiators. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488989, AID488993, AID488995] CHEMBL1201862
Plasmodium falciparum Potency 9285.0 nM PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774] CHEMBL1201862
Plasmodium falciparum Potency 8275.3 nM PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488774] CHEMBL1201862
Cytochrome P450 2D6 AC50 = 1258.93 nM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active CHEMBL1201862
Cytochrome P450 2C9 AC50 PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active CHEMBL1201862
Cytochrome P450 2C19 AC50 PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active CHEMBL1201862
Cytochrome P450 3A4 AC50 = 15848.93 nM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active CHEMBL1201862
Cytochrome P450 1A2 AC50 = 5011.87 nM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked Potency 14575.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249, AID540278] CHEMBL1201862
Unchecked IC50 = 45000.0 nM Inhibition of CDK4/cyclin D expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by radiometric assay CHEMBL1909587
Cyclin-dependent kinase 2/cyclin A IC50 = 7000.0 nM Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by radiometric assay CHEMBL1909587
A-431 GI50 = 16600.0 nM Growth inhibition of human A431 cells after 2 days by SRB assay CHEMBL1909587
HCT-116 GI50 = 16620.0 nM Growth inhibition of human SNU638 cells after 2 days by SRB assay CHEMBL1909587
SNU-638 GI50 = 12050.0 nM Growth inhibition of human HCT116 cells after 2 days by SRB assay CHEMBL1909587
SN12C GI50 90157.11 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
MDA-N GI50 79432.82 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
NCI-H23 GI50 59566.21 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
UO-31 GI50 31405.09 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
ACHN GI50 35892.19 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
HOP-92 GI50 61235.04 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
HL-60 GI50 36897.76 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) CHEMBL1201862
SF-539 GI50 42169.65 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) CHEMBL1201862
DU-145 GI50 34119.29 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) CHEMBL1201862
SK-MEL-5 GI50 40550.85 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
Malme-3M GI50 98174.79 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
K562 GI50 106905.49 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the K-562 Leukemia cell line. (Class of assay: confirmatory) CHEMBL1201862
A498 GI50 102801.63 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the A498 Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
OVCAR-3 GI50 20749.14 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the OVCAR-3 Ovarian cell line. (Class of assay: confirmatory) CHEMBL1201862
MOLT-4 GI50 70145.53 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MOLT-4 Leukemia cell line. (Class of assay: confirmatory) CHEMBL1201862
HOP-62 GI50 29308.93 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-62 Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
NCI/ADR-RES GI50 93756.2 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI/ADR-RES Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
U-251 GI50 64416.93 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the U251 Central Nervous System cell line. (Class of assay: confirmatory) CHEMBL1201862
OVCAR-5 GI50 52966.34 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the OVCAR-5 Ovarian cell line. (Class of assay: confirmatory) CHEMBL1201862
OVCAR-8 GI50 66221.65 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the OVCAR-8 Ovarian cell line. (Class of assay: confirmatory) CHEMBL1201862
MDA-MB-231 GI50 92682.98 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-MB-231/ATCC Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
SNB-19 GI50 48640.72 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SNB-19 Central Nervous System cell line. (Class of assay: confirmatory) CHEMBL1201862
TK-10 GI50 63826.35 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the TK-10 Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
SR GI50 29716.66 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SR Leukemia cell line. (Class of assay: confirmatory) CHEMBL1201862
SW-620 GI50 43451.02 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SW-620 Colon cell line. (Class of assay: confirmatory) CHEMBL1201862
NCI-H522 GI50 51404.37 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H522 Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
KM12 GI50 34994.52 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the KM12 Colon cell line. (Class of assay: confirmatory) CHEMBL1201862
M14 GI50 78886.01 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the M14 Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
NCI-H322M GI50 76383.58 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H322M Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
RPMI-8226 GI50 53826.98 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the RPMI-8226 Leukemia cell line. (Class of assay: confirmatory) CHEMBL1201862
OVCAR-4 GI50 94188.96 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the OVCAR-4 Ovarian cell line. (Class of assay: confirmatory) CHEMBL1201862
LOX IMVI GI50 23988.33 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the LOX IMVI Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
BT-549 GI50 53088.44 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the BT-549 Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
Cyclin-dependent kinase 2 Ki = 3981.07 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK2 CHEMBL1201862
Cyclin-dependent kinase 5 Ki = 6309.57 nM PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5 CHEMBL1201862
SK-MEL-2 GI50 98855.31 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-2 Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
A549 GI50 43853.07 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the A549/ATCC Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
SNB-75 GI50 21281.39 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SNB-75 Central Nervous System cell line. (Class of assay: confirmatory) CHEMBL1201862
HCC 2998 GI50 79067.86 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HCC-2998 Colon cell line. (Class of assay: confirmatory) CHEMBL1201862
HCT-15 GI50 41304.75 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HCT-15 Colon cell line. (Class of assay: confirmatory) CHEMBL1201862
HCT-116 GI50 34753.62 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HCT-116 Colon cell line. (Class of assay: confirmatory) CHEMBL1201862
SF-268 GI50 48977.88 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-268 Central Nervous System cell line. (Class of assay: confirmatory) CHEMBL1201862
MCF7 GI50 39719.15 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
EKVX GI50 94406.09 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the EKVX Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
PC-3 GI50 98174.79 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the PC-3 Prostate cell line. (Class of assay: confirmatory) CHEMBL1201862
SK-OV-3 GI50 95499.26 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-OV-3 Ovarian cell line. (Class of assay: confirmatory) CHEMBL1201862
T47D GI50 50466.13 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the T-47D Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
NCI-H460 GI50 104472.02 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H460 Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
UACC-62 GI50 32583.67 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UACC-62 Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
CAKI-1 GI50 33651.16 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the CAKI-1 Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
MDA-MB-435 GI50 78704.58 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-MB-435 Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
IGROV-1 GI50 42266.86 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Ovarian cell line. (Class of assay: confirmatory) CHEMBL1201862
SF-295 GI50 41114.97 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-295 Central Nervous System cell line. (Class of assay: confirmatory) CHEMBL1201862
Hs-578T GI50 69502.43 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HS 578T Breast cell line. (Class of assay: confirmatory) CHEMBL1201862
UACC-257 GI50 95279.62 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UACC-257 Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
786-0 GI50 60673.63 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the 786-0 Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
CCRF-CEM GI50 54575.79 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the CCRF-CEM Leukemia cell line. (Class of assay: confirmatory) CHEMBL1201862
NCI-H226 GI50 51286.14 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H226 Non-Small Cell Lung cell line. (Class of assay: confirmatory) CHEMBL1201862
SK-MEL-28 GI50 52844.53 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-28 Melanoma cell line. (Class of assay: confirmatory) CHEMBL1201862
HT-29 GI50 71449.63 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HT29 Colon cell line. (Class of assay: confirmatory) CHEMBL1201862
RXF 393 GI50 66988.46 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the RXF 393 Renal cell line. (Class of assay: confirmatory) CHEMBL1201862
COLO 205 GI50 30130.06 nM PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the COLO 205 Colon cell line. (Class of assay: confirmatory) CHEMBL1201862
MCF7 IC50 = 130000.0 nM Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay CHEMBL2057204
B16-F10 IC50 = 105000.0 nM Antiproliferative activity against mouse B16F10 cells after 48 hrs by MTT assay CHEMBL2057204
Cyclin-dependent kinase 2/cyclin E1 IC50 = 5000.0 nM Inhibition of CDK2/cyclin E CHEMBL2057204
Voltage-gated N-type calcium channel alpha-1B subunit EC50 > 1000000.0 nM Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method CHEMBL2203054
Tyrosyl-DNA phosphodiesterase 1 Potency 50118.7 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency 29855.4 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency 18356.4 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency 26608.6 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency 39810.7 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Cyclin-dependent kinase 2 IC50 = 7000.0 nM Inhibition of human N-terminal hexahistidine-tagged CDK2 expressed in baculovirus infected Sf21 cells using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP CHEMBL2424530
NON-PROTEIN TARGET IC50 = 132000.0 nM Cytotoxicity against human H460 cells assessed as growth inhibition after 24 to 48 hrs by CCK8 assay CHEMBL2424530
MCF7 IC50 = 142000.0 nM Cytotoxicity against human MCF7 cells assessed as growth inhibition after 24 to 48 hrs by CCK8 assay CHEMBL2424530
A549 IC50 = 130000.0 nM Cytotoxicity against human A549 cells assessed as growth inhibition after 24 to 48 hrs by CCK8 assay CHEMBL2424530
Cerebroside-sulfatase Potency 5358.2 nM PubChem BioAssay. qHTS screen for enhancers of Arylsulfatase A (ASA1): LOPAC Validation Assay. (Class of assay: confirmatory) CHEMBL1201862
AMP-activated protein kinase, alpha-2 subunit Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of AMPKA2 produced by compound binding CHEMBL1145498
CaM kinase I delta Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of CAMK1D produced by compound binding CHEMBL1145498
CaM kinase I gamma Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of CAMK1G produced by compound binding CHEMBL1145498
CaM kinase II alpha Thermal melting change = -0.3 degrees C Delta TM value showing the stabilisation of CAMK2A produced by compound binding CHEMBL1145498
CaM kinase II beta Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of CAMK2B produced by compound binding CHEMBL1145498
CaM kinase II delta Thermal melting change = -0.2 degrees C Delta TM value showing the stabilisation of CAMK2D produced by compound binding CHEMBL1145498
CaM kinase II gamma Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of CAMK2G produced by compound binding CHEMBL1145498
CaM kinase IV Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of CAMK4 produced by compound binding CHEMBL1145498
CaM-kinase kinase beta Thermal melting change = -0.2 degrees C Delta TM value showing the stabilisation of CAMKK2 produced by compound binding CHEMBL1145498
Cyclin-dependent kinase 2 Thermal melting change = 0.4 degrees C Delta TM value showing the stabilisation of CDK2 produced by compound binding CHEMBL1145498
Cyclin-dependent kinase 6 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of CDK6 produced by compound binding CHEMBL1145498
Cyclin-dependent kinase-like 1 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of CDKL1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase Chk2 Thermal melting change = -0.6 degrees C Delta TM value showing the stabilisation of CHEK2 produced by compound binding CHEMBL1145498
Dual specificty protein kinase CLK1 Thermal melting change = -0.2 degrees C Delta TM value showing the stabilisation of CLK1 produced by compound binding CHEMBL1145498
Dual specificity protein kinase CLK2 Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of CLK2 produced by compound binding CHEMBL1145498
Dual specificity protein kinase CLK3 Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of CLK3 produced by compound binding CHEMBL1145498
Casein kinase I gamma 1 Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of CK1G1 produced by compound binding CHEMBL1145498
Casein kinase I gamma 2 Thermal melting change = 0.5 degrees C Delta TM value showing the stabilisation of CK1G2 produced by compound binding CHEMBL1145498
Casein kinase I isoform gamma-3 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of CK1G3 produced by compound binding CHEMBL1145498
Death-associated protein kinase 3 Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of DAPK3 produced by compound binding CHEMBL1145498
Myotonin-protein kinase Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of DMPK1 produced by compound binding CHEMBL1145498
Glycogen synthase kinase-3 beta Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of GSK3B produced by compound binding CHEMBL1145498
Tyrosine-protein kinase JAK1 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of JAK1~B produced by compound binding CHEMBL1145498
Dual specificity mitogen-activated protein kinase kinase 2 Thermal melting change = -0.4 degrees C Delta TM value showing the stabilisation of MEK2 produced by compound binding CHEMBL1145498
Dual specificity mitogen-activated protein kinase kinase 6 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of MAP2K6 produced by compound binding CHEMBL1145498
Mitogen-activated protein kinase kinase kinase 5 Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of ASK1 produced by compound binding CHEMBL1145498
MAP kinase p38 beta Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of p38beta produced by compound binding CHEMBL1145498
MAP kinase ERK1 Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of ERK1 produced by compound binding CHEMBL1145498
Mitogen-activated protein kinase 6 Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of ERK3 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase MST4 Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of MST4(1) produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase NEK2 Thermal melting change = 1.1 degrees C Delta TM value showing the stabilisation of NEK2 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase NEK6 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of NEK6 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase OSR1 Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of OSR1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PAK 4 Thermal melting change = 0.4 degrees C Delta TM value showing the stabilisation of PAK4 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PAK7 Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of PAK5 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PAK6 Thermal melting change = -0.5 degrees C Delta TM value showing the stabilisation of PAK6 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PCTAIRE-1 Thermal melting change = -0.6 degrees C Delta TM value showing the stabilisation of PCTK1 produced by compound binding CHEMBL1145498
3-phosphoinositide dependent protein kinase-1 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of PDK1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PIM1 Thermal melting change = -1.0 degrees C Delta TM value showing the stabilisation of PIM1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PIM2 Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of PIM2 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PIM3 Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of PIM3 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PLK1 Thermal melting change = -0.9 degrees C Delta TM value showing the stabilisation of PLK1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase PLK4 Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of PLK4 produced by compound binding CHEMBL1145498
cAMP-dependent protein kinase alpha-catalytic subunit Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of PRKACA produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase RIO2 Thermal melting change = 0.3 degrees C Delta TM value showing the stabilisation of RIOK2 produced by compound binding CHEMBL1145498
Ribosomal protein S6 kinase alpha 3 Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of RSK2a produced by compound binding CHEMBL1145498
Ribosomal protein S6 kinase alpha 3 Thermal melting change = -0.2 degrees C Delta TM value showing the stabilisation of RSK2b produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase 2 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of SLK produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase 10 Thermal melting change = 0.5 degrees C Delta TM value showing the stabilisation of LOK produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase 16 Thermal melting change = 0.7 degrees C Delta TM value showing the stabilisation of MPSK1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase 17A Thermal melting change = -0.1 degrees C Delta TM value showing the stabilisation of DRAK1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase 38 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of NDR1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase MST4 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of MST4 (2) produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase MST1 Thermal melting change = 0.3 degrees C Delta TM value showing the stabilisation of MST1 produced by compound binding CHEMBL1145498
TRAF2- and NCK-interacting kinase Thermal melting change = 0.3 degrees C Delta TM value showing the stabilisation of TNIK produced by compound binding CHEMBL1145498
PDZ-binding kinase Thermal melting change = 0.4 degrees C Delta TM value showing the stabilisation of PBK produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase VRK1 Thermal melting change = 0.4 degrees C Delta TM value showing the stabilisation of VRK1 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase VRK2 Thermal melting change = 0.2 degrees C Delta TM value showing the stabilisation of VRK2 produced by compound binding CHEMBL1145498
Inactive serine/threonine-protein kinase VRK3 Thermal melting change = 0.1 degrees C Delta TM value showing the stabilisation of VRK3 produced by compound binding CHEMBL1145498
Serine/threonine-protein kinase 25 Thermal melting change = 0.0 degrees C Delta TM value showing the stabilisation of YSK1 produced by compound binding CHEMBL1145498
Cyclin-dependent kinase 2/cyclin E1 IC50 = 7079.46 nM Inhibition of CDK2/Cyclin E (unknown origin) CHEMBL3763042
Cyclin-dependent kinase 1/cyclin B1 IC50 = 7000.0 nM Inhibition of CDK1/CyclinB (unknown origin) CHEMBL4184194
K562 IC50 = 163000.0 nM Antiproliferative activity against human K562 cells CHEMBL4184194
SARS-CoV-2 Inhibition = 4.05 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging CHEMBL4303101
Replicase polyprotein 1ab Inhibition = 2.494 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate CHEMBL4495564
SARS-CoV-2 Inhibition = 0.0 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4495565
SARS-CoV-2 Inhibition = 0.0 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4495565
Cyclin-dependent kinase 2 IC50 = 7000.0 nM Inhibition of CDK2 (unknown origin) CHEMBL5131375
Unchecked CC50 > 15000.0 nM Cytotoxicity against human LU cells CHEMBL5131375
Human herpesvirus 5 Inhibition = 50.0 % Antiviral activity against HCMV assessed as inhibition of DNA synthesis at 10 uM relative to control CHEMBL5131375