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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 = 'BDBM50067429'   
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))
BDBM50067429
PNG
(8-Methoxy-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES COc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C
Show InChI InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.290n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067429
PNG
(8-Methoxy-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES COc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C
Show InChI InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.290n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair