BDBM35723 CHEMBL344159::N-[4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-3-methyl-phenyl]-2-methyl-benzamide::TOLVAPTAN::benzazepine derivative, 32

SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1

InChI Key InChIKey=GYHCTFXIZSNGJT-UHFFFAOYSA-N

Data  15 KI  9 IC50

  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 24 hits for monomerid = 35723   

TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  0.430nMAssay Description:Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  0.430nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Sanofi Synthelabo

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  0.830nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCorticotropin-releasing factor receptor 1(Rattus norvegicus (rat))
Sanofi Synthelabo

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
In DepthDetails ArticlePubMed
TargetCorticotropin-releasing factor receptor 1(MOUSE)
Sanofi Synthelabo

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  1.26nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  1.33nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  1.70nMAssay Description:Displacement of conivaptan-red from SNAP-tagged V2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition constant measured after...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCorticotropin-releasing factor receptor 1(Rattus norvegicus (rat))
Sanofi Synthelabo

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  1.70nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  2.40nMAssay Description:Displacement of conivaptan-red from SNAP-tagged human V2 receptor expressed in HEK293 cells measured after 1 hr by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  12.3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  32nMAssay Description:Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  296nMAssay Description:Displacement of [3H]-vasopressin from human V1A receptor expressed in CHO cells membrane by microbeta scintillation counter analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVasopressin V1a receptor(RAT)
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi:  325nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50:  0.00700nMAssay Description:Antagonist activity at human AVPR2 by PathHunter beta-arrestin assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50:  3nMpH: 7.4 T: 2°CAssay Description:After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50:  580nMpH: 7.4 T: 2°CAssay Description:After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Otsuka Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at human V2 receptor expressed in CHO cells assessed as reduction in vasopressin induced cAMP production preincubated for 30 mins...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50:  9.99E+3nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Second Tokushima Institute Of New Drug Research

Curated by PDSP Ki Database
LigandPNGBDBM35723(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Affinity DataIC50:  470nMAssay Description:Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate readerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed