BDBM50007664 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide::7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide::CDP::CHEMBL451::CHLORDIAZEPOXIDE::clopoxide::methaminodiazepoxide

SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1

InChI Key InChIKey=ANTSCNMPPGJYLG-UHFFFAOYSA-N

Data  21 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50007664   

TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  275nMAssay Description:Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  300nMAssay Description:Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  300nMAssay Description:Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  320nMAssay Description:Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  368nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  368nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha5-beta3-gamma2 expressed in L(tk-) cells More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  392nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha2-beta3-gamma2 expressed in L(tk-) cells More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  392nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTranslocator protein(Rattus norvegicus (rat))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  438nMAssay Description:Binding affinity of the compound was determined against rat benzodiazepine (BZD) receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  460nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  460nMAssay Description:Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  471nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha3-beta3-gamma2 expressed in L(tk-) cells More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  471nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  520nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  560nMAssay Description:Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.More data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  605nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha1-beta3-gamma2 expressed in L(tk-) cells More data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  605nMAssay Description:Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  740nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  770nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytesMore data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))TBA
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  5.00E+4nMAssay Description:Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))TBA
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataKi:  5.00E+4nMAssay Description:Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
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
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor(RAT)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataIC50:  1.00E+5nMAssay Description:Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataIC50:  1.00E+5nMAssay Description:Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50007664(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Affinity DataIC50:  4.41E+4nMAssay 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