BDBM50307096 6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE::6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-pyrazolo[3,4-c]pyridin-7(7aH)-one::CHEMBL578474
SMILES: CS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)-c1n[nH]c(=O)[nH]1)C(F)(F)F
InChI Key: InChIKey=LOIQROHBNJYIKB-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Coagulation factor X (Homo sapiens (Human)) | BDBM50307096 (6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of human factor 10a | Bioorg Med Chem Lett 20: 1373-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.011 BindingDB Entry DOI: 10.7270/Q2FQ9WQG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50307096 (6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of human factor 2a | Bioorg Med Chem Lett 20: 1373-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.011 BindingDB Entry DOI: 10.7270/Q2FQ9WQG | |||||||||||
More data for this Ligand-Target Pair |