BDBM50101260 CHEMBL48652::[(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-3-(4-methoxy-phenyl)-1,3-dihydro-isoindol-2-yl]-acetic acid

SMILES: CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1

InChI Key: InChIKey=RAMHCNBQMDDFCA-IZZNHLLZSA-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 = 50101260   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50101260 (CHEMBL48652 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-e...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H25NO6/c1-3-31-19-9-10-20-21(13-19)25(16-4-7-18(30-2)8-5-16)27(14-24(28)29)26(20)17-6-11-22-23(12-17)33-15-32-22/h4-13,25-26H,3,14-15H2,1-2H3,(H,28,29)/t25-,26+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair