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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'smart' and Initial = 'tg'   
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))
BDBM50483961
PNG
(CHEMBL1795561)
Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5/c22-20-11-10-19(23-24(20)12-2-5-21(26)27)16-6-8-18(9-7-16)30-14-15-3-1-4-17(13-15)25(28)29/h1,3-4,6-11,13,22H,2,5,12,14H2,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50483959
PNG
(CHEMBL1795560)
Show SMILES Br.COc1cccc(COc2ccc(cc2)-c2ccc(=N)n(CCCC(O)=O)n2)c1
Show InChI InChI=1S/C22H23N3O4/c1-28-19-5-2-4-16(14-19)15-29-18-9-7-17(8-10-18)20-11-12-21(23)25(24-20)13-3-6-22(26)27/h2,4-5,7-12,14,23H,3,6,13,15H2,1H3,(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50483958
PNG
(CHEMBL1795348)
Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H21N3O3/c22-20-13-12-19(23-24(20)14-4-7-21(25)26)17-8-10-18(11-9-17)27-15-16-5-2-1-3-6-16/h1-3,5-6,8-13,22H,4,7,14-15H2,(H,25,26)
PDB

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n/an/a 11n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50483960
PNG
(CHEMBL1795562)
Show SMILES Br.OC(=O)CCCn1nc(ccc1=N)-c1ccc(OCC#C)cc1
Show InChI InChI=1S/C17H17N3O3/c1-2-12-23-14-7-5-13(6-8-14)15-9-10-16(18)20(19-15)11-3-4-17(21)22/h1,5-10,18H,3-4,11-12H2,(H,21,22)
PDB

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antibodypedia
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n/an/a 40n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001572
PNG
((gabazine)4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyrid...)
Show SMILES COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)
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CHEMBL
MCE
KEGG
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Patents


Similars

Article
PubMed
n/an/a 349n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current ...


Bioorg Med Chem Lett 21: 4252-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.067
BindingDB Entry DOI: 10.7270/Q2QR5101
More data for this
Ligand-Target Pair