new BindingDB logo
myBDB logout
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 = 'BDBM50162207'   
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))
BDBM50162207
PNG
(3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...)
Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)|
Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/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