null

SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1

InChI Key InChIKey=JXKQHDZUZGKDGO-UHFFFAOYSA-N

  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 22 hits for monomerid = 50177593   

TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  40nMAssay Description:Binding affinity to V2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  50nMAssay Description:Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  50nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7BD4PubMed
TargetOxytocin receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  125nMAssay Description:Binding affinity to OTR receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetOxytocin receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  199nMAssay Description:Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetOxytocin receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  199nMAssay Description:Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7BD4PubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  344nMAssay Description:Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  344nMAssay Description:Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7BD4PubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi:  465nMAssay Description:Binding affinity to V1A receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to V1B receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetOxytocin receptor(RAT)
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 55nMAssay Description:Antagonist activity at OXR receptor in rat uterusMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataEC50:  0.700nMAssay Description:Agonist activity at V2 receptor (unknown origin) by cAMP accumulation assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 1.66E+3nMAssay Description:Antagonist activity at V1A receptor (unknown origin) by cAMP accumulation assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0HRFPubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataEC50:  465nMAssay Description:Activity at human vasopressin V1a receptor expressed in CHO cells by NFAT-luciferase gene reporter assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7BD4PubMed
TargetOxytocin receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataEC50:  125nMAssay Description:Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7BD4PubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataEC50:  39.9nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2FX7BD4PubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Displacement of [3H]AVP from human V2 receptor transfected in LV2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27945GRPubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataEC50:  0.740nMAssay Description:Binding to human V2 receptor expressed in LV2 cells by cAMP productionMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27945GRPubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 778nMAssay Description:Displacement of [3H]AVP from human V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27945GRPubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 80.3nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9J05PubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 778nMAssay Description:Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9J05PubMed
TargetOxytocin receptor(Homo sapiens (Human))
UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50177593((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 353nMAssay Description:Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NV9J05PubMed