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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1' and Ligand = 'BDBM50242613'   
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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50242613
PNG
(8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S
Show InChI InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 878n/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat GABAA alpha1beta2gamma2 receptor expressed in HEK293 cells after 1 hr assessed as residual binding by liquid s...


J Biol Chem 282: 26316-25 (2007)


Article DOI: 10.1074/jbc.M702153200
BindingDB Entry DOI: 10.7270/Q2PR7VR8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50242613
PNG
(8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S
Show InChI InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 250n/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c...


J Biol Chem 282: 26316-25 (2007)


Article DOI: 10.1074/jbc.M702153200
BindingDB Entry DOI: 10.7270/Q2PR7VR8
More data for this
Ligand-Target Pair