null

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

InChI Key InChIKey=NESUAJPAOMXMJC-UHFFFAOYSA-N

  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 6 hits for monomerid = 25885   

TargetGamma-aminobutyric acid receptor subunit alpha-2 [29-451]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25885(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)copy SMILEScopy InChI
Affinity DataKi:  7.40nM ΔG°:  -10.3kcal/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 Article
BindingDB Entry DOI: 10.7270/Q2GX48WRPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25885(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)copy SMILEScopy InChI
Affinity DataKi:  194nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2GX48WRPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25885(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)copy SMILEScopy InChI
Affinity DataKi:  236nM ΔG°:  -8.40kcal/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 Article
BindingDB Entry DOI: 10.7270/Q2GX48WRPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25885(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)copy SMILEScopy InChI
Affinity DataKi:  272nM ΔG°:  -8.32kcal/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 Article
BindingDB Entry DOI: 10.7270/Q2GX48WRPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6 [20-453]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25885(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+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 Article
BindingDB Entry DOI: 10.7270/Q2GX48WRPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25885(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+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 Article
BindingDB Entry DOI: 10.7270/Q2GX48WRPubMed