BDBM50096931 1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-{4-[2-(2-hydroxy-ethyl)-piperidin-1-ylmethyl]-piperidin-1-yl}-pentan-2-one O-methyl-oxime::CHEMBL145302

SMILES CO\N=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(CN2CCCCC2CCO)CC1)c1ccc(Cl)c(Cl)c1

InChI Key InChIKey=AUQCRJDJIAOZCU-WUGRJRDASA-N

Data  2 KI

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50096931   

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
TargetSubstance-K 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:  14nMAssay Description:Binding affinity towards NK2 receptorMore data for this Ligand-Target Pair