BDBM50144858 3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]triazol-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine::CHEMBL306422

SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12

InChI Key InChIKey=NZMJFRXKGUCYNP-UHFFFAOYSA-N

Data  12 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50144858   

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

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.580nMAssay 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
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.580nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-2-beta-3-gamma-2 expressed in L(tk-) cells 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-2(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.580nMAssay Description:Binding affinity to GABA-A alpha2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.610nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.610nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-3-beta-3-gamma-2 expressed in L(tk-) cells 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(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.610nMAssay Description:Binding affinity to GABA-A alpha3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.660nMAssay 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 and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.660nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-5-beta-3-gamma-2 expressed in L(tk-) cells 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-5(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.660nMAssay Description:Binding affinity to GABA-A alpha5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
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
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.880nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.880nMAssay Description:Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-1-beta-3-gamma-2 expressed in L(tk-) cells 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(Human)
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50144858(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Affinity DataKi:  0.880nMAssay Description:Binding affinity to GABA-A alpha1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed