BDBM50001728 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine::8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine::ALPRAZOLAM::CHEMBL661::Xanax

SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12

InChI Key InChIKey=VREFGVBLTWBCJP-UHFFFAOYSA-N

Data  12 KI  3 IC50  1 Kd  4 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50001728   

TargetGamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha2beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha1beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha3beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha5beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  4.5nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
In DepthDetails PubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  5.30nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  6.70nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  21nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  65nMMore data for this Ligand-Target Pair
TargetPlatelet-activating factor receptor(Homo sapiens (Human))
Rhone-Poulenc Sante

Curated by PDSP Ki Database
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKi:  2.61E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataEC50:  37nMAssay Description:Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataEC50:  69nMAssay Description:Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataEC50:  10nMAssay Description:Effective concentration against Gamma-aminobutyric acid A receptor, alpha 5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataKd:  2.46E+3nMAssay Description:Binding affinity to BRD4-BD1 by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Displacement of [125I]-gastrin from guinea pig gastric glandsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(RAT)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataIC50:  6.40E+4nMAssay Description:Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreasMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-activating factor receptor(Cavia porcellus)
American Cyanamid

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Affinity DataEC50:  12nMAssay Description:Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank