Showing 1 to 50 of 286 entries Per page:
Compound ID
Cluster
Compound Type
Target/Cell Structure Activity Assay Description Source
Type
Relation
Value
Unit
NAs.001044 2 all-match P2Y purinoceptor 1 NAs.001044 EC50 = 8000.0 nM Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes CHEMBL1135773
NAs.001044 2 all-match Unchecked NAs.001044 Other None 35481.3 nM PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) CHEMBL1201862
NAs.001044 2 all-match DNA-(apurinic or apyrimidinic site) lyase NAs.001044 Other None 11220.2 nM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) CHEMBL1201862
NAs.001044 2 all-match Unchecked NAs.001044 Other None 35481.3 nM PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) CHEMBL1201862
NAs.001044 2 all-match Uracil nucleotide/cysteinyl leukotriene receptor NAs.001044 Other None None None Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes up to 1 mM after 60 mins by liquid scintillation counting CHEMBL3259593
NAs.001044 2 all-match Unchecked NAs.001044 Other None None % Inhibition of Helicobacter pylori recombinant alpha1,3-fucosyltransferase using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting CHEMBL3351541
NAs.001044 2 all-match Fucosyltransferase 9 NAs.001044 Other None None % Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting CHEMBL3351541
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.14 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as SPQKPIVR accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.24 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as VFLPNK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Transient receptor potential cation channel subfamily M member 2 NAs.001044 Other None None % Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at 900 uM at +15 mV by whole-cell patch-clamp electrophysiology CHEMBL3108672
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.21 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as 7VVPAR accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.34 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as SIPIPQPFRPADEDHR accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.28 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as GDGGSTTGLSATPPASLPGSLTNVK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 0.83 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as DSSDDWEIPDGQITVGQR accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.18 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as IGSGSFGTVYK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 0.99 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as WHGDVAVK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.13 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as NEVGVLR accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 0.86 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as LIDIAR accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.22 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as QTAQGMDYLHAK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.34 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as DSLKK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 0.32 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as SIIHRDLK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Heat shock protein HSP 90-alpha NAs.001044 IC50 = 59308.0 nM Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay CHEMBL2417440
NAs.001044 2 all-match Heat shock protein 90 beta NAs.001044 IC50 = 11447.0 nM Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from dog Grp94 after 24 hrs by fluorescence polarization assay CHEMBL2417440
NAs.001044 2 all-match Regulator of G-protein signaling 4 NAs.001044 Other None 1191.7 nM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] CHEMBL1201862
NAs.001044 2 all-match No relevant target NAs.001044 Other = 4.0 hr Half life in Tris buffer at pH 9.8 at 0.2 mg by HPLC in presence of alkaline phosphatase CHEMBL2177082
NAs.001044 2 all-match Serum NAs.001044 Other = 2.0 hr Half life in human serum at 40 mM by HPLC CHEMBL2177082
NAs.001044 2 all-match Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 NAs.001044 Other = 25.0 % Stability of the compound assessed as human eNPP1-mediated degradation of compound measuring increase in NMP level at pH 8.5 at 0.2 mM after 20 mins by HPLC relative to control CHEMBL2177082
NAs.001044 2 all-match Streptavidin NAs.001044 Other None None None Binding affinity to Streptomyces avidinii streptavidin at 4 mM using dye labeled Streptavidin binding aptamer by fluorescence spectral analysis method CHEMBL2202973
NAs.001044 2 all-match NON-PROTEIN TARGET NAs.001044 Other None None % Antioxidant activity in rat liver mitochondria assessed as inhibition of Ca2+/phosphate induced mitochondrial swelling at 50 uM by spectrophotometry CHEMBL2321800
NAs.001044 2 all-match NON-PROTEIN TARGET NAs.001044 Other None None % Antioxidant activity in rat brain mitochondria assessed as inhibition of Ca2+/phosphate induced mitochondrial swelling by spectrophotometry CHEMBL2321800
NAs.001044 2 all-match Serum NAs.001044 Other = 32.0 % Metabolic stability in human serum assessed as compound remaining at 0.1 mg after 6 hrs by HPLC analysis CHEMBL2384903
NAs.001044 2 all-match Heat shock protein HSP 90-beta NAs.001044 IC50 = 42159.0 nM Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant HSP90beta (unknown origin) after 24 hrs by fluorescence polarization assay CHEMBL2417440
NAs.001044 2 all-match PC-12 NAs.001044 IC50 = 21000.0 nM Antioxidant activity in rat PC12 cells assessed as inhibition of Fe2+-induced ROS production after 1 hr by DCFH-DA staining-based fluorometric analysis CHEMBL2384903
NAs.001044 2 all-match NON-PROTEIN TARGET NAs.001044 IC50 = 170000.0 nM Antioxidant activity assessed as inhibiton of Fe2+-induced Fenton reaction-mediated hydroxyl radical formation from H2O2 measured for 150 secs by ESR analysis in presence of DMPO CHEMBL2384903
NAs.001044 2 all-match Purinergic receptor P2Y11 NAs.001044 EC50 = 1700.0 nM Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay CHEMBL2384903
NAs.001044 2 all-match Purinergic receptor P2Y1 NAs.001044 EC50 = 24.0 nM Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay CHEMBL2384903
NAs.001044 2 all-match Endoplasmin NAs.001044 Other = 2.3 uM Binding affinity to GRP94 (unknown origin) CHEMBL2417440
NAs.001044 2 all-match Heat shock protein HSP 90-beta NAs.001044 Other = 34.0 uM Binding affinity to HSP90beta (unknown origin) CHEMBL2417440
NAs.001044 2 all-match Heat shock protein HSP 90-alpha NAs.001044 Other = 51.0 uM Binding affinity to HSP90alpha (unknown origin) CHEMBL2417440
NAs.001044 2 all-match Heat shock protein HSP90 NAs.001044 Other = 41.0 uM Binding affinity to HSP90 (unknown origin) CHEMBL2417440
NAs.001044 2 all-match Heat shock protein 75 kDa, mitochondrial NAs.001044 IC50 = 55594.0 nM Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant human Trap-1 after 24 hrs by fluorescence polarization assay CHEMBL2417440
NAs.001044 2 all-match NON-PROTEIN TARGET NAs.001044 IC50 = 30000.0 nM Antioxidant activity assessed as free radical scavenging activity after 7 mins by ABTS radical cation decolorization assay CHEMBL2384903
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.9 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as SNNIFLHEDLTVK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.3 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as IGDFGLATVK accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Serine/threonine-protein kinase B-raf NAs.001044 Other = 1.36 None Binding affinity to recombinant human full-length wild type B-Raf (unknown origin) assessed as DQIIFMVGR accessible protease cleavage peptide level by LC-MS/MS analysis relative to control CHEMBL3414549
NAs.001044 2 all-match Unchecked NAs.001044 IC50 = 2400.0 nM Inhibition of BODIPY-FL-ATPgammaS binding to Thermotoga maritima His-tagged HK853 expressed in Escherichia coli BL21(DE3)pLysS Rosetta after 25 mins by fluorescence polarization assay CHEMBL4017529
NAs.001044 2 all-match Unchecked NAs.001044 Other <= 2.0 degrees C Binding affinity to Thermotoga maritima His-tagged HK853 D411A mutant expressed in Escherichia coli BL21(DE3)pLysS Rosetta assessed as change in melting temperature at 1 mM by SYPRO orange dye based differential scanning fluorimetric analysis CHEMBL4017529
NAs.001044 2 all-match Unchecked NAs.001044 Other = 10.0 degrees C Binding affinity to wild type Thermotoga maritima His-tagged HK853 expressed in Escherichia coli BL21(DE3)pLysS Rosetta assessed as change in melting temperature at 1 mM by SYPRO orange dye based differential scanning fluorimetric analysis CHEMBL4017529
NAs.001044 2 all-match HSP90 NAs.001044 Other None None None Binding affinity to Plasmodium falciparum HSP90 nucleotide binding domain at 0.5 mM by SYPRO orange dye based DSF analysis CHEMBL4152256
NAs.001044 2 all-match Unchecked NAs.001044 Other None None None Binding affinity to Plasmodium falciparum GRP94 nucleotide binding domain at 0.5 mM by SYPRO orange dye based DSF analysis CHEMBL4152256