Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50066409'
TargetEndothelin-1 receptor(RAT)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50066409((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC(CC)CC)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H46N2O5/c1-5-9-15-30(16-10-6-2)27(32)19-31-18-23(22-12-14-25-26(17-22)36-20-35-25)28(29(33)34)24(31)13-11-21(7-3)8-4/h12,14,17,21,23-24,28H,5-11,13,15-16,18-20H2,1-4H3,(H,33,34)/t23-,24+,28-/m1/s1
Affinity DataIC50: 22nMAssay Description:Binding affinity for endothelin A receptor by measuring its ability to displace [125I]-ET-1 from prolactin secreting rat pituitary cells(MMQ)More data for this Ligand-Target Pair