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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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50001728   

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