BDBM50144862 6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl ether::6-methyl-2-pyridyl[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]methane::CHEMBL68712

SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1

InChI Key InChIKey=OFFQUPKDTOZERU-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 50144862   

TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  2.60nMAssay Description:Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-5-beta-3-gamma-2 subtype 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-5-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytesMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  3nMAssay Description:Binding affinity towards human alpha-5-beta-3-gamma-2 GABA-A receptor using [3H]Ro-151788 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  20nMAssay Description:Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2 subtype 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  23.7nMAssay Description:Binding affinity towards human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2 using [3H]Ro-151788 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  25nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-3-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytesMore 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)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  36nMAssay Description:Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 subtype 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-2/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  44.5nMAssay Description:Binding affinity towards human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2 using [3H]Ro-151788 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-2/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  46nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-2-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytesMore 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)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  122nMAssay Description:Binding affinity towards human alpha-1-beta-3-gamma-2 GABA-A receptor using [3H]Ro-151788 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)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  160nMAssay Description:Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2 subtype 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)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144862(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Affinity DataKi:  170nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-1-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed