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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'lager' and Initial = 'e'   
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))
BDBM50479296
PNG
(CHEMBL488283)
Show SMILES CCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479291
PNG
(CHEMBL469477)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C21H21NO2/c1-2-3-9-20(23)18-14-22-19-11-10-16(13-17(19)21(18)24)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,22,24)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479287
PNG
(CHEMBL487686)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-6-19(23)17-13-22-18-8-7-14(11-16(18)20(17)24)10-15-5-4-9-21-12-15/h4-5,7-9,11-13H,2-3,6,10H2,1H3,(H,22,24)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479299
PNG
(CHEMBL487687)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccccn3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)
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0.140n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185292
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES CCOC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
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0.270n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185292
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES CCOC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
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0.270n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479285
PNG
(CHEMBL471551)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O
Show InChI InChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)
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0.380n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479295
PNG
(CHEMBL487685)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccncc3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-4-19(23)17-13-22-18-6-5-15(12-16(18)20(17)24)11-14-7-9-21-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)
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0.390n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479293
PNG
(CHEMBL520411)
Show SMILES O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)
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0.510n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479290
PNG
(CHEMBL488284)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CCc3ccccc3)cc2c1=O
Show InChI InChI=1S/C22H23NO2/c1-2-3-9-21(24)19-15-23-20-13-12-17(14-18(20)22(19)25)11-10-16-7-5-4-6-8-16/h4-8,12-15H,2-3,9-11H2,1H3,(H,23,25)
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0.530n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479294
PNG
(CHEMBL487688)
Show SMILES O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
Show InChI InChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)
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0.880n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479292
PNG
(CHEMBL470283)
Show SMILES CCCCC(=O)c1c[nH]c2ccccc2c1=O
Show InChI InChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)
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0.970n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479288
PNG
(CHEMBL488286)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccc4ccccc4c3)cc2c1=O
Show InChI InChI=1S/C25H23NO2/c1-2-3-8-24(27)22-16-26-23-12-10-18(15-21(23)25(22)28)13-17-9-11-19-6-4-5-7-20(19)14-17/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,26,28)
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2.70n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479289
PNG
(CHEMBL488285)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CCCc3ccccc3)cc2c1=O
Show InChI InChI=1S/C23H25NO2/c1-2-3-12-22(25)20-16-24-21-14-13-18(15-19(21)23(20)26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,13-16H,2-3,7,10-12H2,1H3,(H,24,26)
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3.20n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185296
PNG
(6-ethyl-3-(3-methylbutoxycarbonyl)-4-quinolone | C...)
Show SMILES CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1
Show InChI InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)
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4.10n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479297
PNG
(CHEMBL506314)
Show SMILES CCc1ccc2[nH]cc(C(=O)CC3CCCC3)c(=O)c2c1
Show InChI InChI=1S/C18H21NO2/c1-2-12-7-8-16-14(9-12)18(21)15(11-19-16)17(20)10-13-5-3-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,19,21)
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5.10n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479298
PNG
(CHEMBL206540 | GNF-Pf-4421 | MMV007116)
Show SMILES CCOC(=O)c1cnc2ccc(CC)cc2c1O
Show InChI InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
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5.90n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185292
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES CCOC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
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7.20n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha3 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479286
PNG
(CHEMBL487867)
Show SMILES CCCCC(=O)c1cc(=O)c2CCCCc2[nH]1
Show InChI InChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17)
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11n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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12n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185293
PNG
(6-bromo-3-ethoxycarbonyl-4-quinolone | CHEMBL20525...)
Show SMILES CCOC(=O)c1cnc2ccc(Br)cc2c1O
Show InChI InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
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14n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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14n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha3 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185293
PNG
(6-bromo-3-ethoxycarbonyl-4-quinolone | CHEMBL20525...)
Show SMILES CCOC(=O)c1cnc2ccc(Br)cc2c1O
Show InChI InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
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26n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha3 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
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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53n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185296
PNG
(6-ethyl-3-(3-methylbutoxycarbonyl)-4-quinolone | C...)
Show SMILES CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1
Show InChI InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)
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89n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha3 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/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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1.85E+3n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha3 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholesterol side-chain cleavage enzyme, mitochondrial


(Rattus norvegicus)
BDBM83720
PNG
(6-(2-naphthalenylsulfonyl)quinazoline-2,4-diamine ...)
Show SMILES Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14N4O2S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)25(23,24)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)
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n/an/a 0.0200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antibacterial activity against Streptococcus faecalis assessed as growth inhibition


J Med Chem 22: 1247-57 (1979)


Article DOI: 10.1021/jm00196a019
BindingDB Entry DOI: 10.7270/Q28S4SWQ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577661
PNG
(CHEMBL4879048)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12
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n/an/a 61n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577689
PNG
(CHEMBL4866649)
Show SMILES NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
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n/an/a 83n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577657
PNG
(CHEMBL4848865)
Show SMILES OC(=O)c1cccc(c1)-c1n[nH]c2cc(F)ccc12
PDB
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TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM50577689
PNG
(CHEMBL4866649)
Show SMILES NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
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n/an/a 96n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed in Sf21 cells using JNK1 as substrate pre-incubated for 30 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577686
PNG
(CHEMBL4865159)
Show SMILES CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
PDB
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TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577647
PNG
(CHEMBL4849172)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1ccccc1
PDB
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577671
PNG
(CHEMBL4872723)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccccc1
PDB
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577673
PNG
(CHEMBL4858450)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)NC1CC1
PDB
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n/an/a 380n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577682
PNG
(CHEMBL4846360)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
PDB
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n/an/a 390n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577680
PNG
(CHEMBL4874017)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cc(F)ccc12
PDB
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TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577674
PNG
(CHEMBL4871499)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1cccnc1
PDB
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n/an/a 450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577685
PNG
(CHEMBL4854291)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C#N
PDB
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577659
PNG
(CHEMBL4860404)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1n[nH]c2cc(F)ccc12
PDB
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n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM50577661
PNG
(CHEMBL4879048)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12
PDB

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n/an/a 540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed in Sf21 cells using JNK1 as substrate pre-incubated for 30 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577658
PNG
(CHEMBL4847040)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1ccc(cc1)C(=O)C(F)(F)F
PDB
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TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577687
PNG
(CHEMBL4866764)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
PDB
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n/an/a 620n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577662
PNG
(CHEMBL4875241)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1ccc(NS(=O)(=O)c2cccnc2)cc1
PDB
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TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM50577671
PNG
(CHEMBL4872723)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccccc1
PDB

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n/an/a 840n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed in Sf21 cells using JNK1 as substrate pre-incubated for 30 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577688
PNG
(CHEMBL4875545)
Show SMILES CC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 860n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577672
PNG
(CHEMBL4874062)
Show SMILES Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)NC1CCCCC1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 860n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50577676
PNG
(CHEMBL4850634)
Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM50577686
PNG
(CHEMBL4865159)
Show SMILES CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed in Sf21 cells using JNK1 as substrate pre-incubated for 30 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM50577688
PNG
(CHEMBL4875545)
Show SMILES CC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed in Sf21 cells using JNK1 as substrate pre-incubated for 30 mins foll...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00376
BindingDB Entry DOI: 10.7270/Q20C50MC
More data for this
Ligand-Target Pair
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