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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-5/beta-3/gamma-2 subunit' and Ligand = 'BDBM50162213'   
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))
BDBM50162213
PNG
(1-methyl-1H-1,2,4-triazol-3-yl[6-phenyl-4,5,7,8-te...)
Show SMILES Cn1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-1.26,-7.81,;-.35,-6.57,;1.19,-6.57,;1.66,-5.05,;.42,-4.21,;.42,-2.67,;-.91,-1.9,;-.91,-.36,;.42,.39,;.42,1.95,;1.59,3,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.93,;-3.6,2.63,;-4.9,1.93,;-4.9,.39,;-3.57,-.37,;-4.51,1.18,;-2.94,1.18,;-2.24,.39,;3.08,2.7,;3.57,1.25,;5.09,.95,;6.09,2.12,;5.6,3.56,;4.09,3.87,;-.83,-5.1,)|
Show InChI InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162213
PNG
(1-methyl-1H-1,2,4-triazol-3-yl[6-phenyl-4,5,7,8-te...)
Show SMILES Cn1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(-1.26,-7.81,;-.35,-6.57,;1.19,-6.57,;1.66,-5.05,;.42,-4.21,;.42,-2.67,;-.91,-1.9,;-.91,-.36,;.42,.39,;.42,1.95,;1.59,3,;.93,4.38,;-.58,4.24,;-.91,2.72,;-2.24,1.93,;-3.6,2.63,;-4.9,1.93,;-4.9,.39,;-3.57,-.37,;-4.51,1.18,;-2.94,1.18,;-2.24,.39,;3.08,2.7,;3.57,1.25,;5.09,.95,;6.09,2.12,;5.6,3.56,;4.09,3.87,;-.83,-5.1,)|
Show InChI InChI=1S/C21H21N7O/c1-27-12-22-16(25-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-24-23-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.10n/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