Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50241125'   

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))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C9				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50241125 ((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...) Show SMILES OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)| Show InChI InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarin				Bioorg Med Chem Lett 15: 4286-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.056 BindingDB Entry DOI: 10.7270/Q2K64HMR
					More data for this Ligand-Target Pair