Found 46 hits of ki for UniProtKB: P48169 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244261
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-3a,4,5,6-...)Show SMILES CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6| Show InChI InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3 | PDB
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| 2.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Moltech Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-4-beta-3-gamma-2 receptor |
J Med Chem 51: 3788-803 (2008)
Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 2.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-2 [26-512]/gamma-2 [40-467]
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 3.10 | -11.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Wisconsin at Madison
| Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc... |
J Med Chem 51: 7243-52 (2008)
Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84956
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467]
(Homo sapiens (Human)) | BDBM25877
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3 | PDB
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
| Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... |
Bioorg Med Chem 16: 8853-62 (2008)
Article DOI: 10.1016/j.bmc.2008.08.072
BindingDB Entry DOI: 10.7270/Q2GX48WR |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84956
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3 | PDB
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM81951
(CAS_104999 | DMCM | NSC_104999)Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3 | PDB
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| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50017009
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H | PDB
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| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM81951
(CAS_104999 | DMCM | NSC_104999)Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3 | PDB
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| 14.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM81951
(CAS_104999 | DMCM | NSC_104999)Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84993
(5,6,7,8,9,10-Hexahydro-2-(4-methoxyphenyl)cyclohep...)Show InChI InChI=1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3 | PDB
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| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50017320
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3 | PDB
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| 22.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50142570
(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha4 subunit expressed in L(tk) cells |
Bioorg Med Chem Lett 14: 1679-82 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.057
BindingDB Entry DOI: 10.7270/Q27D2TK7 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84957
(CGS 9896 | CHEMBL20042)Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H | PDB
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| 35.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50017320
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50017320
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3 | PDB
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| 53.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84957
(CGS 9896 | CHEMBL20042)Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84993
(5,6,7,8,9,10-Hexahydro-2-(4-methoxyphenyl)cyclohep...)Show InChI InChI=1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3 | PDB
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM26263
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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Article
PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM26263
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM26263
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84955
(CAS_4375 | FG 7142 | NSC_4375)Show InChI InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17) | PDB
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PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50034820
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3 | PDB
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| >300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Moltech Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-4-beta-3-gamma-2 receptor |
J Med Chem 51: 3788-803 (2008)
Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50243981
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3 | PDB
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PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CoCensys, Inc.
Curated by PDSP Ki Database
| |
Eur J Pharmacol 291: 319-25 (1995)
Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50243981
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3 | PDB
Reactome pathway
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| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244035
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)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 | PDB
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PubMed
| 693 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84992
(Beta CCP | CAS_123662 | NSC_123662)Show InChI InChI=1S/C15H14N2O2/c1-2-7-19-15(18)13-8-11-10-5-3-4-6-12(10)17-14(11)9-16-13/h3-6,8-9,17H,2,7H2,1H3 | PDB
Reactome pathway
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PubMed
| 922 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244036
(Beta-CCT | CHEMBL509197 | tert-butyl 9H-pyrido[3,4...)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 | PDB
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| | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50243981
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3 | PDB
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| | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244035
(Beta CCE | CHEMBL454606 | cid_105078 | ethyl 9H-py...)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 | PDB
Reactome pathway
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| | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244037
(3-propoxy-9H-pyrido[3,4-b]indole | CHEMBL499814)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 | PDB
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| | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50329649
(1-phenylethyl 9H-pyrido[3,4-b]indole-3-carboxylate...)Show InChI InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3 | PDB
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| | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244033
(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)Show SMILES COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3 | PDB
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| 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244033
(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)Show SMILES COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,26H,13-14H2,1-3H3 | PDB
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| | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50244263
(7-ethynyl-4-methyl-5-oxo-4,5-dihydroimidazo[1,5-a]...)Show SMILES Cn1c2c(ncn2c2ccc(cc2c1=O)C#C)C(=O)OCCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C Show InChI InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3 | PDB
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| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Moltech Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to GABAA alpha-4-beta-3-gamma-2 receptor |
J Med Chem 51: 3788-803 (2008)
Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467]
(Homo sapiens (Human)) | BDBM25883
(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)Show SMILES CCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:12| Show InChI InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3 | PDB
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
| Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... |
Bioorg Med Chem 16: 8853-62 (2008)
Article DOI: 10.1016/j.bmc.2008.08.072
BindingDB Entry DOI: 10.7270/Q2GX48WR |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467]
(Homo sapiens (Human)) | BDBM25879
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3 | PDB
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| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
| Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... |
Bioorg Med Chem 16: 8853-62 (2008)
Article DOI: 10.1016/j.bmc.2008.08.072
BindingDB Entry DOI: 10.7270/Q2GX48WR |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50329657
(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 | PDB
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| | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-3 [26-473]/gamma-2 [40-467]
(Homo sapiens (Human)) | BDBM25885
(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)Show SMILES O=C(OCCCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:16,42| Show InChI InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2 | PDB
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| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
| Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... |
Bioorg Med Chem 16: 8853-62 (2008)
Article DOI: 10.1016/j.bmc.2008.08.072
BindingDB Entry DOI: 10.7270/Q2GX48WR |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM84955
(CAS_4375 | FG 7142 | NSC_4375)Show InChI InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50026756
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
Reactome pathway
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DrugBank
KEGG
PC cid
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Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Clinic for Psychiatry
Curated by PDSP Ki Database
| |
Eur J Pharmacol 304: 155-62 (1996)
Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-2 [26-512]/gamma-2 [40-467]
(Homo sapiens (Human)) | BDBM26266
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)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 | PDB
KEGG
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Similars
| PDB
Article
PubMed
| >1.50E+4 | >-6.51 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Wisconsin at Madison
| Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc... |
J Med Chem 51: 7243-52 (2008)
Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-2 [26-512]/gamma-2 [40-467]
(Homo sapiens (Human)) | BDBM26265
((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...)Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.50E+4 | >-6.51 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Wisconsin at Madison
| Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc... |
J Med Chem 51: 7243-52 (2008)
Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM |
More data for this
Ligand-Target Pair | |
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