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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-1/beta-2/gamma-2 subunit' and Ligand = 'BDBM50089761'   
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-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50089761
PNG
((R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
7.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...


Bioorg Med Chem Lett 10: 1381-4 (2000)


BindingDB Entry DOI: 10.7270/Q2KD1X5T
More data for this
Ligand-Target Pair