Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50380669'   

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))	BDBM50380669 (CHEMBL2017273) Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 22: 2963-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.125 BindingDB Entry DOI: 10.7270/Q2ZC83VK
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50380669 (CHEMBL2017273) Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 22: 2968-72 (2012) Article DOI: 10.1016/j.bmcl.2012.02.041 BindingDB Entry DOI: 10.7270/Q2JS9RKN
					More data for this Ligand-Target Pair