Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50512491'   

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))	BDBM50512491 (CHEMBL4556521) Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 10 min...				Bioorg Med Chem Lett 29: 2208-2217 (2019) Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96
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