BDBM50139178 CHEMBL3763342

SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12

InChI Key InChIKey=HWPGRFRXZNLZEX-UHFFFAOYSA-N

Data  16 KI  4 IC50  15 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 35 hits for monomerid = 50139178   

TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  13nMAssay 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
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  27nMAssay Description:Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  27nMAssay Description:Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  31nMAssay 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(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  52nMAssay Description:Displacement of [Tyrosyl-2,6-3H]Oxytocin from recombinant mouse OTR expressed in CHO-K1 cells after 180 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  58nMAssay Description:Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  58nMAssay Description:Displacement of [Tyrosyl-2,6-3H]Oxytocin from recombinant human OTR expressed in CHO-DUKX-A2 cells after 180 mins by liquid scintillation counting me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  58nMAssay Description:Displacement of [Tyrosyl-2,6-3H]oxytocin from recombinant human OTR expressed in CHO-DUKX-A2 cells incubated for 180 mins by scintillation counting b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  113nMAssay Description:Displacement of [3H]-vasopressin from V1A receptor (unknown origin) expressed in HEK293 cell membranes incubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  113nMAssay Description:Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  230nMAssay Description:Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  230nMAssay Description:Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi:  978nMAssay Description:Displacement of [tyrosyl-2,6-3H] oxytocin from OTR (unknown origin) expressed in HEK293 cell membranes incubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to V1A receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to V1B receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
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
TargetVasopressin V2 receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  2.30E+3nMAssay Description:Agonist activity at human V2 receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  29nMAssay Description:Agonist activity at recombinant mouse OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  78nMAssay Description:Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataIC50:  7nMAssay 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
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  3nMAssay 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
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  881nMAssay Description:Agonist activity at human OTR stably expressed in HEK cells by calcium flux assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  150nMAssay Description:Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  61nMAssay Description:Agonist activity at recombinant human OTR expressed in CHO-DUKX-A2 cells assessed as stimulation of intracellular calcium concentration by calcium 3 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  24nMAssay Description:Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataIC50:  613nMAssay Description:Antagonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin-induced IP1 accumulation preinc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  420nMAssay Description:Agonist activity at human OTR expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  880nMAssay Description:Agonist activity at C-terminal GFP-tagged OTR (unknown origin) expressed in HEK293 cells measured after 18 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataIC50:  613nMAssay Description:Displacement of [Tyrosyl-2,6-3H]-Oxytocin from recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells after 180 mins by liquid scintillat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  420nMAssay Description:Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  61nMAssay Description:Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataEC50:  61nMAssay Description:Agonist activity at recombinant human OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Umr7200 Cnrs/Universit£

Curated by ChEMBL
LigandPNGBDBM50139178(CHEMBL3763342)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 3...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed