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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-3/beta-3/gamma-2 subunit' and Ligand = 'BDBM50144860'   
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))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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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
Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
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
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair