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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA A receptor alpha-1/beta-1/gamma-2' and Ligand = 'BDBM50055935'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50055935
PNG
(5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...)
Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
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Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells


J Med Chem 55: 6554-65 (2012)

More data for this
Ligand-Target Pair