BDBM50152974 (2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo[3,4-b]-[1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-2-[(4-methyl-1,4-diazepan-1-yl)carbonothioyl]pyrrolidine-1-carboxamide::(S)-2-(4-Methyl-[1,4]diazepane-1-carbothioyl)-pyrrolidine-1-carboxylic acid 2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-benzylamide::CHEMBL360648

SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12

InChI Key InChIKey=KSNHHKZYKYNBEI-NDEPHWFRSA-N

Data  6 KI  1 IC50  7 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50152974   

TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataKi:  141nMAssay Description:Displacement of DY647 from SNAP-tagged OTR receptor (unknown origin) expressed in HEK293 cells by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataKi:  147nMAssay Description:Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataKi:  196nMAssay Description:Displacement of DY647 from SNAP-tagged V1A receptor (unknown origin) expressed in HEK293 cells by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataKi:  330nMAssay Description:Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of DY647 from SNAP-tagged V2 receptor (unknown origin) expressed in HEK293 cells by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataEC50:  33nMAssay Description:Agonist activity at human OTR receptor expressed in CHO cells co-expressing NFAT-luciferase incubated for 5 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataEC50:  28nMAssay Description:Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataIC50:  8nMAssay Description:Antagonist activity at human V1A receptor expressed in HEK cells assessed as inhibition of AVP-induced intracellular calcium flux incubated for 45 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataEC50:  850nMAssay Description:Agonist activity at human V2 receptor expressed in CHO cells co-expressing CRE-luciferase incubated for 5 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataEC50:  850nMAssay Description:Activity at human vasopressin V2 receptor expressed in CHO cells by NFAT-luciferase gene reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataEC50:  33nMAssay Description:Effective concentration for human Oxytocin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataEC50:  850nMAssay Description:Effective concentration for human Vassopressin V2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50152974((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Affinity DataEC50:  33nMAssay Description:Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed