Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50193814'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50193814 (CHEMBL3980825) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair