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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-3' and Ligand = 'BDBM50034820'   
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-3


(Homo sapiens (Human))
BDBM50034820
PNG
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)
Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
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Article
PubMed
>300n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-3-beta-3-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50034820
PNG
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)
Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
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PC sid
UniChem

Patents


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Article
PubMed
328n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Binding affinity to GABA-A alpha3 (unknown origin)


J Med Chem 63: 3425-3446 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01312
BindingDB Entry DOI: 10.7270/Q2VD72WN
More data for this
Ligand-Target Pair