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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-3/beta-3/gamma-2 subunit' and Ligand = 'BDBM50185515'   
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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185515
PNG
(7-(2,5-difluorophenyl)-3-(2-fluorophenyl)-2-((2-me...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1cc(F)ccc1F |(38.27,-47.4,;36.75,-47.17,;35.67,-48.28,;34.29,-47.6,;34.51,-46.07,;36.03,-45.8,;36.81,-44.47,;36.04,-43.14,;36.82,-41.81,;38.36,-41.65,;38.68,-40.14,;40.02,-39.37,;40.02,-37.82,;38.68,-37.06,;37.35,-37.83,;37.35,-39.37,;36.2,-40.39,;34.86,-39.63,;34.87,-38.09,;33.53,-37.33,;32.2,-38.1,;32.21,-39.65,;33.54,-40.41,;33.56,-41.95,;41.36,-40.14,;41.36,-41.68,;42.69,-42.45,;42.69,-43.99,;44.02,-41.68,;44.02,-40.13,;42.68,-39.37,;42.68,-37.83,)|
Show InChI InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(13-4-2-3-5-15(13)23)17-9-26-28-20(31(17)29-21)14-8-12(22)6-7-16(14)24/h2-9,11H,10H2,1H3
PDB

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair