BDBM50101271 CHEMBL47868::[(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymethoxy-3,4-dimethoxy-phenyl)-5-ethoxy-1,3-dihydro-isoindol-2-yl]-acetic acid

SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1

InChI Key InChIKey=AEBFVYQCTDATBZ-KAYWLYCHSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101271   

TargetEndothelin-1 receptor(Homo sapiens (Human))
Novartis Institute for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50101271(CHEMBL47868 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H29NO10/c1-4-37-17-6-7-18-20(12-17)27(19-8-10-22(35-2)29(36-3)28(19)38-14-25(33)34)30(13-24(31)32)26(18)16-5-9-21-23(11-16)40-15-39-21/h5-12,26-27H,4,13-15H2,1-3H3,(H,31,32)(H,33,34)/t26-,27-/m1/s1
Affinity DataIC50: 6.10nMAssay Description:In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptorMore data for this Ligand-Target Pair