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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-5/beta-3/gamma-2' and Ligand = 'BDBM50067437'   
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-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067437
PNG
((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...)
Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.70n/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-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067437
PNG
((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...)
Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70n/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