BDBM50183186 3-(2-(2-(benzyloxy)-5-bromophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid::CHEMBL377649

SMILES: Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cccc(c1)C(O)=O

InChI Key: InChIKey=AYWHETDHKQSQJT-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183186   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50183186 (3-(2-(2-(benzyloxy)-5-bromophenyl)-5-methyl-1H-pyr...) Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C25H20BrNO3/c1-17-10-12-23(27(17)21-9-5-8-19(14-21)25(28)29)22-15-20(26)11-13-24(22)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP450 2C9				Bioorg Med Chem Lett 16: 2666-71 (2006) Article DOI: 10.1016/j.bmcl.2006.02.014 BindingDB Entry DOI: 10.7270/Q2J102RM
					More data for this Ligand-Target Pair