Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50441568'   

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))	BDBM50441568 (CHEMBL2436983 | US10485800, Example 9 | US9814704,...) Show SMILES Nc1ncc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1 Show InChI InChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as inhibition of midazolam metabolism by HPLC/MS analysis				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
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