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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 = 'BDBM50162219'   
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))
BDBM50162219
PNG
(5-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Show SMILES Cc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nc1 |(.35,-8.55,;.35,-7.01,;-.98,-6.23,;-.98,-4.7,;.35,-3.95,;.35,-2.41,;-.98,-1.64,;-.98,-.1,;.33,.65,;.33,2.21,;1.5,3.27,;.87,4.64,;-.65,4.48,;-.98,2.99,;-2.31,2.21,;-3.66,2.89,;-4.97,2.21,;-4.97,.65,;-3.64,-.1,;-4.59,1.44,;-3.01,1.44,;-2.31,.65,;3.02,2.97,;3.51,1.51,;5.02,1.21,;6.03,2.37,;5.53,3.83,;4.02,4.12,;1.67,-4.7,;1.68,-6.23,)|
Show InChI InChI=1S/C24H23N5O/c1-15-7-12-19(25-13-15)14-30-24-21-17-10-8-16(9-11-17)20(21)23-27-26-22(29(23)28-24)18-5-3-2-4-6-18/h2-7,12-13,16-17H,8-11,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.20n/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