BDBM25877 CHEMBL286594::RY-80, 1::ethyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate

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

InChI Key InChIKey=WDTNKNNGHGOKBH-UHFFFAOYSA-N

Data  31 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 25877   

LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  0.490nMAssay 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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  0.490nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  0.490nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  0.490nMAssay Description:Binding affinity for Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  0.490nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  5.30nMAssay 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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  21nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  21nMAssay Description:Binding affinity for human GABA-A receptor alpha-2-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  21nMAssay Description:Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  21nMAssay Description:Binding affinity tested against alpha-2-beta-3-gamma-2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  21.4nM ΔG°:  -9.72kcal/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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  21.4nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  25.8nM ΔG°:  -9.62kcal/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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  26nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-3-beta-3-gamma-2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  26nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  26nMAssay Description:Binding affinity against alpha-3-beta-3-gamma-2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  26nMAssay Description:Binding affinity for human GABA-A receptor alpha-3-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28nMAssay Description:Binding affinity against alpha-1-beta-3-gamma-2 GABAA/BzR receptor subtype.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28nMAssay Description:Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28.4nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28.4nM ΔG°:  -9.56kcal/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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28.8nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha-6-beta-3-gamma-2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  28.8nMAssay 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 Depth
Date in BDB:
12/5/2008
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  29nMAssay Description:Binding affinity against Gamma-aminobutyric acid A receptor alpha-6-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  29nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  29nMAssay Description:Binding affinity for human GABA-A receptor alpha-6-beta-2-gamma-2 expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  29nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-6-beta-3-gamma-2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA A receptor alpha-4/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  53nMAssay Description:In vitro binding affinity for human GABA-A receptor alpha-4-beta-3-gamma-2 subunits expressed in L(tk-) cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA A receptor alpha-4/beta-3/gamma-2(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25877(CHEMBL286594 | ethyl 12-ethynyl-8-methyl-9-oxo-2,4...)
Affinity DataKi:  53nMAssay Description:In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-4-beta-3-gamma-2 subunits expressed in L(tk-)cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed