Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50096931'
TargetSubstance-P receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50096931(1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichl...)
Show SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(CN2CCCCC2CCO)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H43Cl2F6N3O3/c1-47-43-32(22-48-21-24-16-26(33(37,38)39)19-27(17-24)34(40,41)42)29(25-5-6-30(35)31(36)18-25)9-14-44-12-7-23(8-13-44)20-45-11-3-2-4-28(45)10-15-46/h5-6,16-19,23,28-29,46H,2-4,7-15,20-22H2,1H3/b43-32+
Affinity DataKi:  13nMAssay Description:Binding affinity towards NK1 receptorMore data for this Ligand-Target Pair