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PubMed code 26410663

Compile data set for download or QSAR
Found 15 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))
BDBM50120861
PNG
(CHEMBL3616638)
Show SMILES CCCc1cc(NC(C)=O)c(O)c(c1)-c1ccc(OCC)c(CCC)c1
Show InChI InChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)
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PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120859
PNG
(CHEMBL3616636)
Show SMILES CCCc1ccc(OC)c(c1)-c1cc(N)c(O)c(CCC)c1
Show InChI InChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3
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PubMed
n/an/an/an/a 6.22E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride c...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120861
PNG
(CHEMBL3616638)
Show SMILES CCCc1cc(NC(C)=O)c(O)c(c1)-c1ccc(OCC)c(CCC)c1
Show InChI InChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)
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PubMed
n/an/an/an/a 6.90E+3n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride c...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120863
PNG
(CHEMBL3616640)
Show SMILES CCCc1cc(N)c(O)c(c1)-c1ccc(OCC)c(CCC)c1
Show InChI InChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3
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n/an/an/an/a 3.32E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride c...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50350149
PNG
(CHEMBL1814312)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)cc(NC(C)=O)c1O
Show InChI InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)
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n/an/an/an/a 5.30E+3n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120860
PNG
(CHEMBL3616637)
Show SMILES CCCc1ccc(OC)c(c1)-c1cc(CCC)c(O)c(NC(C)=O)c1
Show InChI InChI=1S/C21H27NO3/c1-5-7-15-9-10-20(25-4)18(11-15)17-12-16(8-6-2)21(24)19(13-17)22-14(3)23/h9-13,24H,5-8H2,1-4H3,(H,22,23)
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n/an/an/an/a 2.46E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50157304
PNG
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)
Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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PubMed
n/an/an/an/a 7.62E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride c...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120857
PNG
(CHEMBL3616634)
Show SMILES COc1ccc(CC=C)cc1-c1cc(N)c(O)c(CC=C)c1
Show InChI InChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3
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n/an/an/an/a 1.44E+5n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride c...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120857
PNG
(CHEMBL3616634)
Show SMILES COc1ccc(CC=C)cc1-c1cc(N)c(O)c(CC=C)c1
Show InChI InChI=1S/C19H21NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h4-5,8-12,21H,1-2,6-7,20H2,3H3
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n/an/an/an/a 4.76E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120862
PNG
(CHEMBL3616639)
Show SMILES CCCc1ccc(OCC)c(c1)-c1cc(N)c(O)c(CCC)c1
Show InChI InChI=1S/C20H27NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h9-13,22H,4-8,21H2,1-3H3
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n/an/an/an/a 2.04E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120859
PNG
(CHEMBL3616636)
Show SMILES CCCc1ccc(OC)c(c1)-c1cc(N)c(O)c(CCC)c1
Show InChI InChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3
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n/an/an/an/a 1.58E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120863
PNG
(CHEMBL3616640)
Show SMILES CCCc1cc(N)c(O)c(c1)-c1ccc(OCC)c(CCC)c1
Show InChI InChI=1S/C20H27NO2/c1-4-7-14-11-17(20(22)18(21)12-14)15-9-10-19(23-6-3)16(13-15)8-5-2/h9-13,22H,4-8,21H2,1-3H3
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n/an/an/an/a 1.44E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120858
PNG
(CHEMBL3616635)
Show SMILES CCOc1ccc(CC=C)cc1-c1cc(N)c(O)c(CC=C)c1
Show InChI InChI=1S/C20H23NO2/c1-4-7-14-9-10-19(23-6-3)17(11-14)16-12-15(8-5-2)20(22)18(21)13-16/h4-5,9-13,22H,1-2,6-8,21H2,3H3
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PubMed
n/an/an/an/a 2.15E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induc...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50350149
PNG
(CHEMBL1814312)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)cc(NC(C)=O)c1O
Show InChI InChI=1S/C21H23NO3/c1-5-7-15-11-18(21(24)19(12-15)22-14(3)23)16-9-10-20(25-4)17(13-16)8-6-2/h5-6,9-13,24H,1-2,7-8H2,3-4H3,(H,22,23)
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n/an/an/an/a 6.81E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride c...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/an/an/a 5.10E+4n/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride c...


Bioorg Med Chem 23: 6757-62 (2015)


Article DOI: 10.1016/j.bmc.2015.08.034
BindingDB Entry DOI: 10.7270/Q2WQ05KM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%