BDBM50146623 (Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(3,4-dimethoxy-phenyl)-4-oxo-but-2-enoic acid::CHEMBL176696

SMILES: COc1ccc(cc1OC)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=OCBZLMNNBYZTON-CLCOLTQESA-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 = 50146623   

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
EDNRA (RAT)	BDBM50146623 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(3,4-dimeth...) Show SMILES COc1ccc(cc1OC)C(=O)C(\Cc1ccccc1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H22O7/c1-30-20-10-9-18(14-22(20)31-2)25(27)19(12-16-6-4-3-5-7-16)24(26(28)29)17-8-11-21-23(13-17)33-15-32-21/h3-11,13-14H,12,15H2,1-2H3,(H,28,29)/b24-19-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair