BDBM50144859 3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]triazol-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine::CHEMBL69605

SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnnn3C)nn12

InChI Key InChIKey=VAJLZGPUVKNCRO-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50144859   

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

Curated by ChEMBL
LigandPNGBDBM50144859(3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]t...)
Affinity DataKi:  2nMAssay 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-2/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144859(3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]t...)
Affinity DataKi:  2.80nMAssay 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
LigandPNGBDBM50144859(3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]t...)
Affinity DataKi:  4.20nMAssay 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-3/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50144859(3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]t...)
Affinity DataKi:  5.20nMAssay 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