BDBM50101272 CHEMBL299095::{(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-3-[4-methoxy-2-(1H-tetrazol-5-ylmethoxy)-phenyl]-1,3-dihydro-isoindol-2-yl}-acetic acid

SMILES: CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCc1nnn[nH]1)c1ccc2OCOc2c1

InChI Key: InChIKey=DKZVMSFPFHQYJP-IZLXSDGUSA-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 = 50101272   

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))	BDBM50101272 (CHEMBL299095 | {(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCc1nnn[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N5O7/c1-3-37-18-6-7-19-21(11-18)28(20-8-5-17(36-2)12-23(20)38-14-25-29-31-32-30-25)33(13-26(34)35)27(19)16-4-9-22-24(10-16)40-15-39-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,34,35)(H,29,30,31,32)/t27-,28+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	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