Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM244143'   

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))	BDBM244143 (US9428492, 13) Show SMILES C[C@H](O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r| Show InChI InChI=1S/C21H23N7O/c1-11(29)20-24-13(3)26-28(20)19-10-17(22-12(2)23-19)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)4/h5-8,10-11,14-15,29H,9H2,1-4H3/t11-,14?,15+/m0/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	>5.00E+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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