BDBM50146613 5-{5-[(Z)-3-Benzo[1,3]dioxol-5-yl-3-carboxy-2-(4-methoxy-benzoyl)-allyl]-2,3-dimethoxy-phenoxy}-pentanoic acid methyl ester::CHEMBL177973

SMILES: COC(=O)CCCCOc1cc(C\C(C(=O)c2ccc(OC)cc2)=C(\C(O)=O)c2ccc3OCOc3c2)cc(OC)c1OC

InChI Key: InChIKey=UFAYSMFUFAFYJD-KRUMMXJUSA-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 = 50146613   

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)	BDBM50146613 (5-{5-[(Z)-3-Benzo[1,3]dioxol-5-yl-3-carboxy-2-(4-m...) Show SMILES COC(=O)CCCCOc1cc(C\C(C(=O)c2ccc(OC)cc2)=C(\C(O)=O)c2ccc3OCOc3c2)cc(OC)c1OC Show InChI InChI=1S/C33H34O11/c1-38-23-11-8-21(9-12-23)31(35)24(30(33(36)37)22-10-13-25-26(18-22)44-19-43-25)15-20-16-27(39-2)32(41-4)28(17-20)42-14-6-5-7-29(34)40-3/h8-13,16-18H,5-7,14-15,19H2,1-4H3,(H,36,37)/b30-24-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	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