Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50073553'   

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))	BDBM50073553 (CHEMBL3408957) Show SMILES CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H34N4O2/c1-21(2)37-17-15-25(16-18-37)39-24-11-7-22(8-12-24)9-14-29-26-13-10-23(19-31(26)36-35-29)28-20-33(28)27-5-3-4-6-30(27)34-32(33)38/h3-14,19,21,25,28H,15-18,20H2,1-2H3,(H,34,38)(H,35,36)/b14-9+/t28-,33-/m0/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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) by fluorescence assay				J Med Chem 58: 147-69 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2M0475V
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