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Compile Data Set for Download or QSAR

Found 474 hits with Last Name = 'namjoshi' and Initial = 'oa'   
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-3/gamma-2


(Homo sapiens (Human))
BDBM50244036
PNG
(Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
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0.720n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329657
PNG
(6-Ethynl-9H-beta-carboline-3-carboxylic acid t-but...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C
Show InChI InChI=1S/C18H16N2O2/c1-5-11-6-7-14-12(8-11)13-9-15(19-10-16(13)20-14)17(21)22-18(2,3)4/h1,6-10,20H,2-4H3
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0.972n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244035
PNG
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329639
PNG
(CHEMBL1270540 | tert-butyl 6-fluoro-9H-pyrido[3,4-...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21
Show InChI InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3
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1.62n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329635
PNG
(CHEMBL1270443 | tert-butyl 6-phenyl-9H-pyrido[3,4-...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3
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KEGG

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2.02n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329631
PNG
(CHEMBL1270248 | tert-butyl 6-(furan-2-yl)-9H-pyrid...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccco1
Show InChI InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3
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2.40n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329638
PNG
(CHEMBL1270539 | tert-butyl 6-tert-butyl-9H-pyrido[...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3
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2.78n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
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3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329635
PNG
(CHEMBL1270443 | tert-butyl 6-phenyl-9H-pyrido[3,4-...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c1-22(2,3)26-21(25)19-12-17-16-11-15(14-7-5-4-6-8-14)9-10-18(16)24-20(17)13-23-19/h4-13,24H,1-3H3
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3.63n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329637
PNG
(1-(6-fluoro-9H-pyrido[3,4-b]indol-3-yl)butan-1-one...)
Show SMILES CCCC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21
Show InChI InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3
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3.70n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329643
PNG
(1,1,1,3,3,3-hexafluoropropan-2-yl 9H-pyrido[3,4-b]...)
Show SMILES FC(F)(F)C(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H
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3.99n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329663
PNG
(CHEMBL1269816 | ethyl 6-((trimethylsilyl)ethynyl)-...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C[Si](C)(C)C
Show InChI InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3
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4.40n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329627
PNG
(2,2,2-trifluoroethyl 6-ethynyl-9H-pyrido[3,4-b]ind...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C
Show InChI InChI=1S/C16H9F3N2O2/c1-2-9-3-4-12-10(5-9)11-6-13(20-7-14(11)21-12)15(22)23-8-16(17,18)19/h1,3-7,21H,8H2
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4.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329663
PNG
(CHEMBL1269816 | ethyl 6-((trimethylsilyl)ethynyl)-...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C[Si](C)(C)C
Show InChI InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3
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KEGG

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4.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329639
PNG
(CHEMBL1270540 | tert-butyl 6-fluoro-9H-pyrido[3,4-...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21
Show InChI InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3
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KEGG

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4.54n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329639
PNG
(CHEMBL1270540 | tert-butyl 6-fluoro-9H-pyrido[3,4-...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21
Show InChI InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3
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KEGG

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4.61n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha5beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329629
PNG
(CHEMBL1269786 | ethyl 6-iodo-9H-pyrido[3,4-b]indol...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21
Show InChI InChI=1S/C14H11IN2O2/c1-2-19-14(18)12-6-10-9-5-8(15)3-4-11(9)17-13(10)7-16-12/h3-7,17H,2H2,1H3
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4.80n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244035
PNG
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
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KEGG

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4.90n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244037
PNG
(3-propoxy-9H-pyrido[3,4-b]indole | CHEMBL499814)
Show SMILES CCCOc1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H14N2O/c1-2-7-17-14-8-11-10-5-3-4-6-12(10)16-13(11)9-15-14/h3-6,8-9,16H,2,7H2,1H3
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5.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329663
PNG
(CHEMBL1269816 | ethyl 6-((trimethylsilyl)ethynyl)-...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C[Si](C)(C)C
Show InChI InChI=1S/C19H20N2O2Si/c1-5-23-19(22)17-11-15-14-10-13(8-9-24(2,3)4)6-7-16(14)21-18(15)12-20-17/h6-7,10-12,21H,5H2,1-4H3
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5.58n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha3beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244035
PNG
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
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5.70n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha3beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244034
PNG
(3-ethoxy-9H-pyrido[3,4-b]indole | CHEMBL498936)
Show SMILES CCOc1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3
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6.43n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329660
PNG
(6-Trimethylsilanylethynyl-9H-beta-carboline-3-carb...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C#C[Si](C)(C)C
Show InChI InChI=1S/C21H24N2O2Si/c1-21(2,3)25-20(24)18-12-16-15-11-14(9-10-26(4,5)6)7-8-17(15)23-19(16)13-22-18/h7-8,11-13,23H,1-6H3
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6.80n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329638
PNG
(CHEMBL1270539 | tert-butyl 6-tert-butyl-9H-pyrido[...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3
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7.49n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha5beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329654
PNG
((S)-sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate...)
Show SMILES CC[C@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3/t10-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329643
PNG
(1,1,1,3,3,3-hexafluoropropan-2-yl 9H-pyrido[3,4-b]...)
Show SMILES FC(F)(F)C(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)13(15(19,20)21)25-12(24)10-5-8-7-3-1-2-4-9(7)23-11(8)6-22-10/h1-6,13,23H
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8n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329638
PNG
(CHEMBL1270539 | tert-butyl 6-tert-butyl-9H-pyrido[...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3
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8.93n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329634
PNG
(2,2,2-trifluoroethyl 6-(thiophen-2-yl)-9H-pyrido[3...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1cccs1
Show InChI InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2
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9.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329644
PNG
(2,2,2-trichloroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES ClC(Cl)(Cl)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9Cl3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
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10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329628
PNG
(2,2,2-trifluoroethyl 6-iodo-9H-pyrido[3,4-b]indole...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21
Show InChI InChI=1S/C14H8F3IN2O2/c15-14(16,17)6-22-13(21)11-4-9-8-3-7(18)1-2-10(8)20-12(9)5-19-11/h1-5,20H,6H2
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12n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329634
PNG
(2,2,2-trifluoroethyl 6-(thiophen-2-yl)-9H-pyrido[3...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1cccs1
Show InChI InChI=1S/C18H11F3N2O2S/c19-18(20,21)9-25-17(24)14-7-12-11-6-10(16-2-1-5-26-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2
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13n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329631
PNG
(CHEMBL1270248 | tert-butyl 6-(furan-2-yl)-9H-pyrid...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccco1
Show InChI InChI=1S/C20H18N2O3/c1-20(2,3)25-19(23)16-10-14-13-9-12(18-5-4-8-24-18)6-7-15(13)22-17(14)11-21-16/h4-11,22H,1-3H3
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13n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329659
PNG
(6-Iodo-9H-beta-carboline-3-carboxylic acid t-butyl...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc21
Show InChI InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3
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14.4n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329639
PNG
(CHEMBL1270540 | tert-butyl 6-fluoro-9H-pyrido[3,4-...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21
Show InChI InChI=1S/C16H15FN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3
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14.7n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha3beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244036
PNG
(Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
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15n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329662
PNG
(3-(3,3-dimethylbut-1-ynyl)-6-(5,5-dimethylhex-1-en...)
Show SMILES C[Si](C)(C)C#Cc1ccc2[nH]c3cnc(cc3c2c1)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C19H17F3N2O2Si/c1-27(2,3)7-6-12-4-5-15-13(8-12)14-9-16(23-10-17(14)24-15)18(25)26-11-19(20,21)22/h4-5,8-10,24H,11H2,1-3H3
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17n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329653
PNG
((S)-beta-Carboline-3-carboxylic acid sec-butyl est...)
Show SMILES CC[C@@H](C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3/t10-/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329646
PNG
(CHEMBL1269061 | sec-butyl 9H-pyrido[3,4-b]indole-3...)
Show SMILES CCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C16H16N2O2/c1-3-10(2)20-16(19)14-8-12-11-6-4-5-7-13(11)18-15(12)9-17-14/h4-10,18H,3H2,1-2H3
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18n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244036
PNG
(Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
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18.9n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha3beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329648
PNG
(2,4,5-trifluorophenyl 9H-pyrido[3,4-b]indole-3-car...)
Show SMILES Fc1cc(F)c(OC(=O)c2cc3c(cn2)[nH]c2ccccc32)cc1F
Show InChI InChI=1S/C18H9F3N2O2/c19-11-6-13(21)17(7-12(11)20)25-18(24)15-5-10-9-3-1-2-4-14(9)23-16(10)8-22-15/h1-8,23H
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22n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329638
PNG
(CHEMBL1270539 | tert-butyl 6-tert-butyl-9H-pyrido[...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-19(2,3)12-7-8-15-13(9-12)14-10-16(21-11-17(14)22-15)18(23)24-20(4,5)6/h7-11,22H,1-6H3
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24.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha3beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
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24.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50001470
PNG
(3-Isobutoxy-9H-beta-carboline | CHEMBL87334)
Show SMILES CC(C)COc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,16H,9H2,1-2H3
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24.9n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329636
PNG
(2,2,2-trifluoroethyl 6-phenyl-9H-pyrido[3,4-b]indo...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccccc1
Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)11-27-19(26)17-9-15-14-8-13(12-4-2-1-3-5-12)6-7-16(14)25-18(15)10-24-17/h1-10,25H,11H2
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25n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244034
PNG
(3-ethoxy-9H-pyrido[3,4-b]indole | CHEMBL498936)
Show SMILES CCOc1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3
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25.1n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329632
PNG
(2,2,2-trifluoroethyl 6-(furan-2-yl)-9H-pyrido[3,4-...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccc(cc21)-c1ccco1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)9-26-17(24)14-7-12-11-6-10(16-2-1-5-25-16)3-4-13(11)23-15(12)8-22-14/h1-8,23H,9H2
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26n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/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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26.7n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50244035
PNG
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)
Show SMILES CCOC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3
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26.8n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha5beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329637
PNG
(1-(6-fluoro-9H-pyrido[3,4-b]indol-3-yl)butan-1-one...)
Show SMILES CCCC(=O)c1cc2c(cn1)[nH]c1ccc(F)cc21
Show InChI InChI=1S/C15H13FN2O/c1-2-3-15(19)13-7-11-10-6-9(16)4-5-12(10)18-14(11)8-17-13/h4-8,18H,2-3H2,1H3
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27n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50329652
PNG
((R)-1,1,1-trifluoropropan-2-yl 9H-pyrido[3,4-b]ind...)
Show SMILES C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc21)C(F)(F)F |r|
Show InChI InChI=1S/C15H11F3N2O2/c1-8(15(16,17)18)22-14(21)12-6-10-9-4-2-3-5-11(9)20-13(10)7-19-12/h2-8,20H,1H3/t8-/m1/s1
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27n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
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