BDBM50149428 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxymethyl]benzonitrile::CHEMBL120838

SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12

InChI Key InChIKey=AHTXTFPELOVMKB-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 = 50149428   

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

Curated by ChEMBL
LigandPNGBDBM50149428(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Affinity DataKi:  0.440nMAssay 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 and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50149428(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Affinity DataKi:  1.70nMAssay 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
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50149428(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Affinity DataKi:  2.90nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50149428(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Affinity DataKi:  17.5nMAssay 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