Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50418610'   

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))	BDBM50418610 (GW-856553 | GW856553X | LOSMAPIMOD | US10550073, C...) Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. US Patent					Assay Description Experimental Method: 4-hydroxydiclofenac (the substrate for CYP450 and 2C9 enzymes) and different doses of compounds were added into human liver micr...				US Patent US10550073 (2020) BindingDB Entry DOI: 10.7270/Q21R6SWZ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50418610 (GW-856553 | GW856553X | LOSMAPIMOD | US10550073, C...) Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in Escherichia coli by fluorimetric assay				J Med Chem 52: 6257-69 (2009) Article DOI: 10.1021/jm9004779 BindingDB Entry DOI: 10.7270/Q2J967NC
					More data for this Ligand-Target Pair