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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-2/beta-3/gamma-2'   
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-2/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50459892
PNG
(CHEMBL4228824)
Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12|
Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
360n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha2beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50452383
PNG
(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.40E+4n/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A receptor alpha2beta3gamma2 expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 27: 5415-5419 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.008
BindingDB Entry DOI: 10.7270/Q27D2XQ8
More data for this
Ligand-Target Pair