Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM244156'   

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))	BDBM244156 (US9428492, B) Show SMILES CO[C@H](C)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r| Show InChI InChI=1S/C22H25N7O/c1-12(30-5)21-25-14(3)27-29(21)20-11-18(23-13(2)24-20)15-10-16(15)22-26-17-8-6-7-9-19(17)28(22)4/h6-9,11-12,15-16H,10H2,1-5H3/t12-,15?,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibition assay using CYP2C9				US Patent US9428492 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TKM
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