Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50049993'
TargetEndothelin-1 receptor(RAT)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50049993(2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CCCc1sc(nc1C(O)=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1
Show InChI InChI=1S/C30H41N5O4S/c1-4-11-25-26(29(37)38)34-28(40-25)24(17-20-18-31-22-13-8-7-12-21(20)22)32-27(36)23(16-19(2)3)33-30(39)35-14-9-5-6-10-15-35/h7-8,12-13,18-19,23-24,31H,4-6,9-11,14-17H2,1-3H3,(H,32,36)(H,33,39)(H,37,38)/t23-,24+/m0/s1
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of Endothelin-1 binding to Endothelin A receptor binding sites in MMQ cell membranesMore data for this Ligand-Target Pair