BDBM50101269 CHEMBL298922::[(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-phenyl)-5-propoxy-1,3-dihydro-isoindol-2-yl]-acetic acid

SMILES: CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1

InChI Key: InChIKey=QEYNQJBCFCUMCK-KAYWLYCHSA-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 = 50101269   

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))	BDBM50101269 (CHEMBL298922 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...) Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H27NO6/c1-3-12-32-20-9-10-21-22(14-20)26(17-4-7-19(31-2)8-5-17)28(15-25(29)30)27(21)18-6-11-23-24(13-18)34-16-33-23/h4-11,13-14,26-27H,3,12,15-16H2,1-2H3,(H,29,30)/t26-,27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	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