Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50189252'
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University of Kentucky

Curated by ChEMBL
LigandPNGBDBM50189252(CHEMBL214040 | M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O
Show InChI InChI=1S/C19H21NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3-6,12-13,15,18H,7-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
Affinity DataKi:  1.17E+3nMAssay Description:Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brainMore data for this Ligand-Target Pair