BDBM25882 XLi374, 5::[({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-5-yl}carbonyloxy)methoxy]methyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate

SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCOCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C

InChI Key InChIKey=HTXVZFMUVDOMLN-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 25882   

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

LigandPNGBDBM25882(XLi374, 5 | [({12-ethynyl-8-methyl-9-oxo-2,4,8-tri...)
Affinity DataKi:  76.1nMAssay 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

LigandPNGBDBM25882(XLi374, 5 | [({12-ethynyl-8-methyl-9-oxo-2,4,8-tri...)
Affinity DataKi:  1.86E+3nM ΔG°:  -7.26kcal/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-2 [29-451]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin-Milwaukee

LigandPNGBDBM25882(XLi374, 5 | [({12-ethynyl-8-methyl-9-oxo-2,4,8-tri...)
Affinity DataKi:  2.69E+3nM ΔG°:  -7.06kcal/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

LigandPNGBDBM25882(XLi374, 5 | [({12-ethynyl-8-methyl-9-oxo-2,4,8-tri...)
Affinity DataKi:  3.80E+3nM ΔG°:  -6.87kcal/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