BDBM25879 3-({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)propyl 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::CHEMBL35571::XLi093, 2

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

InChI Key InChIKey=JYRRJDFICVOODX-UHFFFAOYSA-N

Data  17 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 25879   

TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  15nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  15nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-3 [26-473]/gamma-2 [40-467](Homo sapiens (Human))
University Of Wisconsin-Milwaukee

LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  15nMAssay 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
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  858nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-)cellsMore 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

LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  858nM ΔG°:  -7.69kcal/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/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
Target InfoGoogleScholar
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

LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >1.00E+3nM ΔG°: >-7.60kcal/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

LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >1.00E+3nM ΔG°: >-7.60kcal/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
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore 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
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >1.00E+3nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetGABA A receptor alpha-4/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  1.55E+3nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore 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

LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  1.55E+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
TargetGABA A receptor alpha-4/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi:  1.55E+3nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >2.00E+3nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha4-beta3-gamma2 subunits expressed in L(tk-)cellsMore 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

LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >2.00E+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-6/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25879(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Affinity DataKi: >2.00E+3nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed