Compound ID |
Cluster
|
Compound Type
|
Target/Cell | Structure | Activity | Assay Description | Source | ||||
---|---|---|---|---|---|---|---|---|---|---|---|
Type
|
Relation
|
Value
|
Unit
|
||||||||
NAs.000000 | 2 | ribose-match | Adenosine A1 receptor | ![]() |
Ki | = | 120.0 | nM | Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes. | CHEMBL1124694 | |
NAs.000000 | 2 | ribose-match | J82 | ![]() |
Other | None | None | None | Cytotoxicity against human J82 cells at 10 uM after 72 hrs by MTT assay | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | K562 | ![]() |
GI50 | = | 2920.0 | nM | Growth inhibition of 1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 72 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | K562 | ![]() |
GI50 | = | 2920.0 | nM | Growth inhibition of 0.1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 72 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | K562 | ![]() |
GI50 | = | 4170.0 | nM | Growth inhibition of 1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 48 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | K562 | ![]() |
GI50 | = | 3910.0 | nM | Growth inhibition of 0.1 uM 1,4-dihydro-2-methyl-6-phenyl-4-(phenylethyl)-3,5-pyridine-dicarboxylic acid 3-ethyl-5-[(3-nitrophenyl) methyl] ester pretreated human K562 cells after 48 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | Adenosine A3 receptor | ![]() |
Ki | = | 41.3 | nM | Inhibition of human adenosine A3 receptor | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | MCF7 | ![]() |
GI50 | = | 61000.0 | nM | Antitumor activity against human MCF7 cells after 48 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | HT-29 | ![]() |
GI50 | = | 22300.0 | nM | Antitumor activity against human HT29 cells after 48 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | Caco-2 | ![]() |
GI50 | = | 7400.0 | nM | Antitumor activity against human CaCo2 cells after 48 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | K562 | ![]() |
GI50 | = | 4600.0 | nM | Antitumor activity against human K562 cells after 48 hrs by MTS assay | CHEMBL1155110 | |
NAs.000000 | 2 | ribose-match | Adenosine A2b receptor | ![]() |
Other | = | -1.491 | None | Agonist activity human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase relative to NECA | CHEMBL1145544 | |
NAs.000000 | 2 | ribose-match | Adenosine A2b receptor | ![]() |
Other | = | -4.799 | None | Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase | CHEMBL1145544 | |
NAs.000000 | 2 | ribose-match | Equilibrative nucleoside transporter 1 | ![]() |
IC50 | = | 10715.19 | nM | Binding affinity to ENT1 transporter | CHEMBL1145549 | |
NAs.000000 | 2 | ribose-match | NON-PROTEIN TARGET | ![]() |
IC50 | = | 5400.0 | nM | Antitumor activity against human MCF cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | ADMET | ![]() |
IC50 | = | 39000.0 | nM | Cytotoxicity against mouse NIH 3T3 cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | B16 | ![]() |
IC50 | > | 166700.0 | nM | Antitumor activity against mouse B16 cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | G-361 | ![]() |
IC50 | > | 166700.0 | nM | Antitumor activity against human G361 cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | HL-60 | ![]() |
IC50 | = | 940.0 | nM | Antitumor activity against human HL60 cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | CCRF-CEM | ![]() |
IC50 | = | 1400.0 | nM | Antitumor activity against human CEM cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | K562 | ![]() |
IC50 | = | 5500.0 | nM | Antitumor activity against human K562 cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | HOS | ![]() |
IC50 | > | 166700.0 | nM | Antitumor activity against human HOS cells after 72 hrs by Calcein AM assay | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | Caco-2 | ![]() |
Other | None | None | None | Cytotoxicity against human Caco-2 cells at 10 uM after 72 hrs by MTT assay | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | MDA-MB-231 | ![]() |
Other | None | None | None | Cytotoxicity against human MDA-MB-231 cells at 10 uM after 72 hrs by MTT assay | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | T-24 | ![]() |
Other | None | None | None | Cytotoxicity against human T24 cells assessed as inhibition of clones formation at 10 uM after 1 week by clonogenic assay | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | T-24 | ![]() |
Other | None | None | None | Growth inhibition of human T24 cells assessed as reduction of cell count after trypsinization at 10 uM after 72 hrs by MTT assay | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | Stimulator of interferon genes protein | ![]() |
Other | None | None | None | Activation of human STING expressed in monocytes co-expressing IFN assessed as alkaline phosphatase secretion by SEAP reporter gene assay | CHEMBL4602626 | |
NAs.000000 | 2 | ribose-match | Unchecked | ![]() |
CC50 | > | 50000.0 | nM | Cytotoxicity against PEK cells after 7 days | CHEMBL3994636 | |
NAs.000000 | 2 | ribose-match | Unchecked | ![]() |
CC50 | > | 50000.0 | nM | Cytotoxicity against PEK cells after 24 hrs | CHEMBL3994636 | |
NAs.000000 | 2 | ribose-match | Tick-borne encephalitis virus | ![]() |
EC50 | > | 50000.0 | nM | Antiviral activity against TEBV Absettarov infected in PEK cells assessed as inhibition of viral reproduction preincubated with virus for 1 hr followed by addition to PEK cells measured after 1 hr by gentian violet staining based plaque reduction assay | CHEMBL3994636 | |
NAs.000000 | 2 | ribose-match | Tick-borne encephalitis virus | ![]() |
Other | None | None | % | Antiviral activity against TEBV Absettarov infected in PEK cells assessed as inhibition of viral reproduction at 50 uM preincubated with virus for 1 hr followed by addition to PEK cells measured after 1 hr by gentian violet staining based plaque reduction assay relative to control | CHEMBL3994636 | |
NAs.000000 | 2 | ribose-match | Unchecked | ![]() |
Ratio CC50/EC50 | = | 14.0 | None | Selectivity index, ratio of CC50 for human RD cells to EC50 for Enterovirus 71 | CHEMBL3792372 | |
NAs.000000 | 2 | ribose-match | RD | ![]() |
CC50 | = | 4000.0 | nM | Cytotoxicity against human RD cells | CHEMBL3792372 | |
NAs.000000 | 2 | ribose-match | Human enterovirus 71 | ![]() |
EC50 | = | 280.0 | nM | Antiviral activity against Enterovirus 71 infected in human RD cells assessed as cell viability after 3 days by MTS assay | CHEMBL3792372 | |
NAs.000000 | 2 | ribose-match | Platelet | ![]() |
IC50 | = | 37120.0 | nM | Inhibition of collagen-induced human platelet aggregation after 3 mins by light transmission aggregometry | CHEMBL3351821 | |
NAs.000000 | 2 | ribose-match | Unchecked | ![]() |
Other | None | 28183.8 | nM | PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) | CHEMBL1201862 | |
NAs.000000 | 2 | ribose-match | Histidine kinase | ![]() |
Other | = | 0.35 | % | Activation of Arabidopsis thaliana CRE1/AHK4 cytokinin receptor relative to trans-zeatin | CHEMBL1143049 | |
NAs.000000 | 2 | ribose-match | Unchecked | ![]() |
Other | None | 11220.2 | nM | PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) | CHEMBL1201862 | |
NAs.000000 | 2 | ribose-match | Tyrosyl-DNA phosphodiesterase 1 | ![]() |
Other | None | 1883.7 | 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 | |
NAs.000000 | 2 | ribose-match | Adenosine kinase | ![]() |
IC50 | = | 794328.23 | nM | Inhibition of Toxoplasma gondii adenosine kinase | CHEMBL3045254 | |
NAs.000000 | 2 | ribose-match | 78 kDa glucose-regulated protein | ![]() |
Other | None | 19952.6 | nM | PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) | CHEMBL1201862 | |
NAs.000000 | 2 | ribose-match | DNA dC->dU-editing enzyme APOBEC-3G | ![]() |
Other | None | 23715.0 | nM | PUBCHEM_BIOASSAY: qHTS for inhibitors of Vif-A3G interactions: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588444] | CHEMBL1201862 | |
NAs.000000 | 2 | ribose-match | Cellular tumor antigen p53 | ![]() |
Other | = | 6309.6 | nM | PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] | CHEMBL1201862 | |
NAs.000000 | 2 | ribose-match | Cellular tumor antigen p53 | ![]() |
Other | = | 10000.0 | nM | PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) | CHEMBL1201862 | |
NAs.000000 | 2 | ribose-match | Tyrosyl-DNA phosphodiesterase 1 | ![]() |
Other | = | 1000.0 | nM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | CHEMBL1201862 | |
NAs.000000 | 2 | ribose-match | T-24 | ![]() |
Other | None | None | None | Inhibition of human T24 cell migration by wound healing assay | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | Matrix metalloproteinase 9 | ![]() |
Other | None | None | None | Induction of MMP9 activity in human T24 cells after 1 hr by zymography | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | T-24 | ![]() |
Other | None | None | % | Inhibition of human T24 cells invasion on Matrigel after 24 hrs | CHEMBL1287719 | |
NAs.000000 | 2 | ribose-match | Tyrosyl-DNA phosphodiesterase 1 | ![]() |
Other | None | 2660.9 | 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 | |
NAs.000000 | 2 | ribose-match | Histidine kinase | ![]() |
Other | = | 2.53 | % | Activation of Arabidopsis thaliana AHK3 cytokinin receptor relative to trans-zeatin | CHEMBL1143049 |