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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-5/beta-3/gamma-2 subunit' and Ligand = 'BDBM50162238'   
Target/Host
(Institution)
LigandTarget/Host
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 receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162238
PNG
(9-(3-methoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraa...)
Show SMILES COc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.46,-4.68,;-2.12,-3.94,;-.79,-4.71,;-.79,-6.23,;.56,-7,;1.88,-6.23,;1.87,-4.71,;.56,-3.94,;.56,-2.42,;-.79,-1.64,;-.79,-.1,;.54,.67,;.54,2.21,;1.71,3.29,;1.08,4.65,;-.46,4.49,;-.79,2.98,;-2.12,2.21,;-3.46,2.89,;-2.81,1.44,;-4.4,1.44,;-3.45,-.1,;-4.79,.67,;-4.79,2.21,;-2.12,.67,;3.23,2.98,;3.72,1.54,;5.24,1.23,;6.24,2.38,;5.74,3.85,;4.22,4.15,)|
Show InChI InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.650n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair