Found 275 hits Enz. Inhib. hit(s) with all data for entry = 50007756 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067441
(8-Hydroxy-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)Show SMILES CN1Cc2c(ncn2-c2ccc(O)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3 | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(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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| PDB Article PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067429
(8-Methoxy-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)Show SMILES COc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C18H21N3O4/c1-18(2,3)25-17(23)15-14-9-20(4)16(22)12-8-11(24-5)6-7-13(12)21(14)10-19-15/h6-8,10H,9H2,1-5H3 | PDB
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| Article PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067432
(CHEMBL341398 | ethyl 7-bromo-9-oxo-(12aS)-12,12a-d...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc-21 Show InChI InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3/t12-/m0/s1 | PDB
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| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044941
(8-Azido-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
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Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067444
(CHEMBL336728 | ethyl 7-(1-ethynyl)-9-oxo-(12aS)-12...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3/t14-/m0/s1 | PDB
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| Article PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044951
(8-Iodo-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaz...)Show SMILES CN1Cc2c(ncn2-c2ccc(I)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
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| Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067426
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)Show InChI InChI=1S/C17H17N3O3/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/h4,6-8,10H,1,5,9H2,2-3H3 | PDB
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| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049736
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3 | PDB
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| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067424
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1 | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044947
(8-Bromo-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show SMILES CN1Cc2c(ncn2-c2ccc(Br)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
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| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(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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| Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067441
(8-Hydroxy-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)Show SMILES CN1Cc2c(ncn2-c2ccc(O)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(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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| PDB Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50034816
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
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| Article PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067422
(8-Bromo-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show InChI InChI=1S/C15H14BrN3O3/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
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067430
(8-Dimethylamino-5-methyl-6-oxo-5,6-dihydro-4H-2,5,...)Show SMILES CN(C)c1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)16-15-10-22(6)17(24)13-9-12(21(4)5)7-8-14(13)23(15)11-20-16/h7-9,11H,10H2,1-6H3 | PDB
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| Article PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(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 | UniProtKB/SwissProt
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| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50034839
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)Show InChI InChI=1S/C15H14ClN3O3/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
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(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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| PDB Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067425
((S)-9-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(Br)ccc-21 Show InChI InChI=1S/C17H16BrN3O3/c1-2-24-17(23)14-15-13-4-3-7-20(13)16(22)11-8-10(18)5-6-12(11)21(15)9-19-14/h5-6,8-9,13H,2-4,7H2,1H3/t13-/m0/s1 | PDB
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University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(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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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049737
(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C=C)ccc-21 Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50034828
(8-Ethoxy-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)Show InChI InChI=1S/C17H19N3O4/c1-4-23-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)24-5-2)18-10-20(13)14/h6-8,10H,4-5,9H2,1-3H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067420
((S)-9-Ethynyl-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H17N3O3/c1-3-12-7-8-14-13(10-12)18(23)21-9-5-6-15(21)17-16(19(24)25-4-2)20-11-22(14)17/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049734
(8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show InChI InChI=1S/C17H19N3O3/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/h6-8,10H,4-5,9H2,1-3H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067441
(8-Hydroxy-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)Show SMILES CN1Cc2c(ncn2-c2ccc(O)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)14-13-8-19(4)15(22)11-7-10(21)5-6-12(11)20(13)9-18-14/h5-7,9,21H,8H2,1-4H3 | UniProtKB/SwissProt
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049740
(5-Methyl-6-oxo-8-prop-1-ynyl-5,6-dihydro-4H-2,5,10...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#CC Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049739
(8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067438
((S)-3-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-9-ethynyl-3b...)Show SMILES CCc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C20H17N5O2/c1-3-12-7-8-14-13(10-12)20(26)24-9-5-6-15(24)18-17(21-11-25(14)18)19-22-16(4-2)23-27-19/h1,7-8,10-11,15H,4-6,9H2,2H3/t15-/m0/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044943
(8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=C=S)C(=O)OC(C)(C)C Show InChI InChI=1S/C18H18N4O3S/c1-18(2,3)25-17(24)15-14-8-21(4)16(23)12-7-11(20-10-26)5-6-13(12)22(14)9-19-15/h5-7,9H,8H2,1-4H3 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(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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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067419
(CHEMBL130416 | RY-066 | ethyl 9-oxo-7-(2-trimethyl...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C |r| Show InChI InChI=1S/C21H23N3O3Si/c1-5-27-21(26)18-19-17-8-10-23(17)20(25)15-12-14(9-11-28(2,3)4)6-7-16(15)24(19)13-22-18/h6-7,12-13,17H,5,8,10H2,1-4H3/t17-/m0/s1 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-2/beta-3/gamma-2
(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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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049735
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-5,6-dihyd...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C[Si](C)(C)C)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H27N3O3Si/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/h8-9,12,14H,13H2,1-7H3 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(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 | UniProtKB/SwissProt
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044946
(5-Methyl-8-nitro-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)[N+]([O-])=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18N4O5/c1-17(2,3)26-16(23)14-13-8-19(4)15(22)11-7-10(21(24)25)5-6-12(11)20(13)9-18-14/h5-7,9H,8H2,1-4H3 | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067437
((S)-9-Ethynyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-3...)Show SMILES Cc1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049737
(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C=C)ccc-21 Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3 | UniProtKB/SwissProt
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2
(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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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067439
((S)-7-Oxo-9-trimethylsilanylethynyl-3b,4,5,6-tetra...)Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C[Si](C)(C)C Show InChI InChI=1S/C22H25N3O3Si/c1-5-28-22(27)19-20-18-7-6-11-24(18)21(26)16-13-15(10-12-29(2,3)4)8-9-17(16)25(20)14-23-19/h8-9,13-14,18H,5-7,11H2,1-4H3/t18-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50034816
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049737
(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C=C)ccc-21 Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067440
(5-Methyl-6-oxo-8-piperidin-1-yl-5,6-dihydro-4H-2,5...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N1CCCCC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C22H28N4O3/c1-22(2,3)29-21(28)19-18-13-24(4)20(27)16-12-15(25-10-6-5-7-11-25)8-9-17(16)26(18)14-23-19/h8-9,12,14H,5-7,10-11,13H2,1-4H3 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044951
(8-Iodo-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaz...)Show SMILES CN1Cc2c(ncn2-c2ccc(I)cc2C1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50067436
((S)-9-Ethynyl-3-(3-isopropyl-[1,2,4]oxadiazol-5-yl...)Show SMILES CC(C)c1noc(n1)-c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(ccc-21)C#C Show InChI InChI=1S/C21H19N5O2/c1-4-13-7-8-15-14(10-13)21(27)25-9-5-6-16(25)18-17(22-11-26(15)18)20-23-19(12(2)3)24-28-20/h1,7-8,10-12,16H,5-6,9H2,2-3H3/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049738
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-5,6-dihyd...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C[Si](C)(C)C Show InChI InChI=1S/C20H23N3O3Si/c1-6-26-20(25)18-17-12-22(2)19(24)15-11-14(9-10-27(3,4)5)7-8-16(15)23(17)13-21-18/h7-8,11,13H,6,12H2,1-5H3 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50049736
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044941
(8-Azido-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
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UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2 |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50044941
(8-Azido-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C Show InChI InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee
Curated by ChEMBL
| Assay Description Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype. |
J Med Chem 41: 4130-42 (1998)
Article DOI: 10.1021/jm980317y BindingDB Entry DOI: 10.7270/Q2W37VFJ |
More data for this Ligand-Target Pair | |