BDBM50326719 (S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tolylpiperazin-1-ylsulfonyl)methyl)bicyclo[2.2.1]heptan-2-yl)-4-(methylsulfonyl)butanamide::CHEMBL1253853

SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C

InChI Key InChIKey=MWIASLNTAGRGGA-ZJPWWDJASA-N

Data  8 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50326719   

TargetOxytocin receptor(RAT)
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  3.60nMAssay Description:Displacement of [3H]-oxytocin from oxytocin receptor in rat uterus tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  8nMAssay Description:Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  13nMAssay Description:Binding affinity to human OT receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(RAT)
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  110nMAssay Description:Displacement of [3H]-vasopressin from vasopressin V1a receptor in rat liver tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  180nMAssay Description:Displacement of [3H]-vasopressin from vasopressin V1a receptor in human liver tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  200nMAssay Description:Displacement of [3H]-vasopressin from vasopressin V2 receptor in rat kidney tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataKi:  590nMAssay Description:Displacement of [3H]-vasopressin from vasopressin V2 receptor in human kidney tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(RAT)
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataIC50:  370nMAssay Description:Displacement of [3H]AVP from binding to arginine vasopressin 1a (V1a) column of rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(RAT)
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataIC50:  8.90nMAssay Description:Displacement of [3H]-OT from binding to oxytocin receptor of rat uterusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(RAT)
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataIC50:  8.90nMAssay Description:Inhibition of rat uterus OT receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Drugmoldesign

Curated by ChEMBL
LigandPNGBDBM50326719((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Affinity DataIC50:  570nMAssay Description:Displacement of [3H]-AVP from binding to Vasopressin receptor V2 of rat kidneyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed