BDBM25883 ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene-5-carboxylate::imidazobenzodiazepine, 6

SMILES CCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C

InChI Key InChIKey=HZYHQJXUEKIREU-UHFFFAOYSA-N

Data  6 KI  2 EC50

  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 8 hits for monomerid = 25883   

TargetGamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataKi:  13.8nMAssay Description:The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2 [29-451]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataKi:  45nM ΔG°:  -9.31kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataKi:  96nM ΔG°:  -8.89kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataKi:  287nM ΔG°:  -8.29kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6 [20-453]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataKi:  1.00E+3nMAssay Description:The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataKi:  1.50E+3nMAssay Description:The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataEC50:  146nMAssay Description:Modulation of recombinant human GABA alpha3beta3gamma2 receptor expressed in HEK293 cells assessed as change in GABA-induced current at -80 mV holdin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25883(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Affinity DataEC50: >2.00E+4nMAssay Description:Binding affinity to human GABAA alpha3beta3gamma2 receptor expressed in HEK293 cells assessed as GABA-induced membrane potential change preincubated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed