BDBM50145117 (2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(carbamoylmethyl)-10-{4-[(diaminomethylidene)amino]butyl}-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-5-[(diaminomethylidene)amino]pentanamide::CHEMBL385067

SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@H](CC(N)=O)C(=O)N1

InChI Key InChIKey=VPZGCHVXNDFFEJ-VCUDXLCCSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50145117   

TargetVasopressin V1b receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50145117((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Affinity DataKi:  0.520nMAssay Description:Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50145117((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Affinity DataKi:  48.2nMAssay Description:Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50145117((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Affinity DataKi:  1.36E+3nMAssay Description:Binding affinity against human oxytocin receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptorsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50145117((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Affinity DataKi:  1.39E+3nMAssay Description:Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed