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PubMed code 27598234

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50207313
PNG
(CHEMBL3962969)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(F)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C18H18FN3O/c1-12-4-6-13(7-5-12)18-15(10-17(23)21(2)3)22-11-14(19)8-9-16(22)20-18/h4-9,11H,10H2,1-3H3
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PubMed
n/an/an/an/a 1.27E+3n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50207314
PNG
(CHEMBL3971200)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN3O/c1-12-4-9-16-20-18(13-5-7-14(19)8-6-13)15(22(16)11-12)10-17(23)21(2)3/h4-9,11H,10H2,1-3H3
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Article
PubMed
n/an/an/an/a 238n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50207312
PNG
(CHEMBL3954951)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(F)cn12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15F2N3O/c1-21(2)16(23)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-22(14)15/h3-8,10H,9H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/an/an/a 408n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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Article
PubMed
n/an/an/an/a 240n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA i...


Eur J Med Chem 124: 456-467 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.059
BindingDB Entry DOI: 10.7270/Q22B911Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%