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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50001502   
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/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50282235
PNG
(CHEMBL4174166)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r|
Show InChI InChI=1S/C28H33F4N3O4/c1-12(36)16-6-7-17-15-5-4-13-10-14(37)8-9-27(13,2)20(15)18(11-28(16,17)3)39-26(38)19-21(29)23(31)25(34-35-33)24(32)22(19)30/h13-18,20,37H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,20+,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50282234
PNG
(CHEMBL4163464)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC1(N=N1)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |r,c:13|
Show InChI InChI=1S/C21H32N2O2/c1-12(24)16-6-7-17-15-5-4-13-10-14(25)8-9-19(13,2)18(15)21(22-23-21)11-20(16,17)3/h13-18,25H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.23E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...


Eur J Med Chem 136: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.043
BindingDB Entry DOI: 10.7270/Q2K076TS
More data for this
Ligand-Target Pair