Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50101264'
TargetEndothelin-1 receptor(Homo sapiens (Human))
Novartis Institute for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50101264(CHEMBL298664 | [(1R,3R)-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: 96nMAssay Description:In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptorMore data for this Ligand-Target Pair