Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50448471'   

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))	BDBM50448471 (CHEMBL3126382) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C30H45NO6S/c32-23-26-21-25(15-16-29(26)33)30(34)22-31-17-6-1-2-7-18-37-19-8-5-10-24-11-9-14-28(20-24)38(35,36)27-12-3-4-13-27/h9,11,14-16,20-21,27,30-34H,1-8,10,12-13,17-19,22-23H2/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in Escherichia coli				J Med Chem 57: 159-70 (2014) Article DOI: 10.1021/jm401532g BindingDB Entry DOI: 10.7270/Q2CC126Q
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