BDBM50114039 1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-hexyl}-piperidine::CHEMBL87455

SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCCCC1

InChI Key InChIKey=BWRRQRJOQYKKBG-UHFFFAOYSA-N

Data  2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50114039   

TargetVasopressin V1a receptor(Homo sapiens (Human))
Yamanouchi Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50114039(1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCCCC1
Show InChI InChI=1S/C32H38N4O/c1-26-33-34-32(29-20-18-28(19-21-29)27-14-6-4-7-15-27)36(26)30-16-8-9-17-31(30)37-25-13-3-2-10-22-35-23-11-5-12-24-35/h4,6-9,14-21H,2-3,5,10-13,22-25H2,1H3
Affinity DataKi:  13.9nMAssay Description:Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligandMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Yamanouchi Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50114039(1-{6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCCCC1
Show InChI InChI=1S/C32H38N4O/c1-26-33-34-32(29-20-18-28(19-21-29)27-14-6-4-7-15-27)36(26)30-16-8-9-17-31(30)37-25-13-3-2-10-22-35-23-11-5-12-24-35/h4,6-9,14-21H,2-3,5,10-13,22-25H2,1H3
Affinity DataKi:  6.93E+3nMAssay Description:Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]-AVP as radioligandMore data for this Ligand-Target Pair