Found 20 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit beta-3' AND taxid = 9606 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 |
|---|
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214664
(5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)Show SMILES CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.44,-26.02,;31.19,-25.11,;31.36,-23.58,;30.11,-22.67,;30.12,-21.13,;28.65,-20.65,;27.75,-21.9,;28.65,-23.14,;28.17,-24.61,;29.2,-25.75,;26.21,-21.89,;25.45,-23.23,;26.22,-24.56,;23.91,-23.23,;23.14,-21.89,;23.91,-20.56,;25.45,-20.56,;26.22,-19.23,;21.6,-21.89,;20.04,-21.96,;21.56,-20.35,;21.65,-23.43,)| Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.659 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214659
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-methyl-...)Show SMILES CCCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.52,-8.6,;2.27,-7.69,;2.44,-6.16,;1.2,-5.26,;1.2,-3.72,;-.27,-3.23,;-1.17,-4.48,;-.27,-5.73,;-.75,-7.19,;-2.71,-4.48,;-3.47,-5.81,;-2.69,-7.14,;-5,-5.82,;-5.78,-4.48,;-5.01,-3.14,;-3.47,-3.14,;-2.7,-1.81,;-7.32,-4.48,;-8.87,-4.54,;-7.36,-2.94,;-7.27,-6.02,)| Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214673
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxy...)Show SMILES CCCc1nnn(c1CO)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.18,-26.58,;1.93,-25.67,;2.1,-24.14,;.85,-23.23,;.86,-21.69,;-.61,-21.21,;-1.51,-22.46,;-.61,-23.7,;-1.09,-25.17,;-.06,-26.31,;-3.05,-22.45,;-3.81,-23.79,;-3.04,-25.12,;-5.35,-23.79,;-6.12,-22.45,;-5.35,-21.12,;-3.81,-21.12,;-3.04,-19.79,;-7.66,-22.45,;-9.22,-22.52,;-7.7,-20.91,;-7.61,-23.99,)| Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214650
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-dieth...)Show SMILES CCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(31.28,.4,;31.44,1.93,;30.2,2.84,;30.21,4.38,;28.74,4.86,;27.84,3.62,;28.73,2.37,;28.25,.9,;29.28,-.24,;26.3,3.62,;25.53,2.29,;26.31,.95,;24,2.28,;23.22,3.62,;23.99,4.95,;25.53,4.95,;26.31,6.28,;21.68,3.62,;20.13,3.55,;21.65,5.16,;21.73,2.08,)| Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214662
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)Show SMILES CCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(2.91,.76,;3.08,2.29,;1.83,3.2,;1.84,4.74,;.37,5.22,;-.53,3.97,;.37,2.73,;-.11,1.26,;-2.07,3.98,;-2.83,2.64,;-2.06,1.31,;-4.37,2.64,;-5.14,3.98,;-4.37,5.31,;-2.83,5.31,;-2.06,6.64,;-6.68,3.98,;-8.24,3.91,;-6.72,5.52,;-6.63,2.44,)| Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214670
(1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethyl-4...)Show SMILES CCCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.56,-17.92,;2.31,-17.01,;2.48,-15.48,;1.23,-14.57,;1.24,-13.03,;-.23,-12.55,;-1.13,-13.8,;-.23,-15.05,;-.71,-16.51,;.32,-17.66,;-2.67,-13.8,;-3.43,-15.13,;-2.66,-16.46,;-4.97,-15.13,;-5.74,-13.79,;-4.97,-12.46,;-3.43,-12.46,;-2.66,-11.13,;-7.28,-13.79,;-8.84,-13.86,;-7.32,-12.25,;-7.23,-15.33,)| Show InChI InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214665
(1-(2,6-dibromo-4-trifluoromethylphenyl)-5-methyl-4...)Show SMILES CCCc1nnn(c1C)-c1c(Br)cc(cc1Br)C(F)(F)F |(32.3,-8.5,;31.05,-7.59,;31.22,-6.06,;29.97,-5.15,;29.98,-3.61,;28.51,-3.13,;27.61,-4.38,;28.51,-5.63,;28.03,-7.09,;26.07,-4.38,;25.31,-5.71,;26.08,-7.04,;23.77,-5.71,;23,-4.37,;23.77,-3.04,;25.31,-3.04,;26.08,-1.71,;21.46,-4.38,;19.9,-4.44,;21.42,-2.84,;21.51,-5.91,)| Show InChI InChI=1S/C13H12Br2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214653
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...)Show SMILES CCCc1c(CC)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.13,-18.44,;14.61,-16.98,;13.58,-15.83,;14.06,-14.37,;15.53,-13.9,;16.77,-14.81,;16.61,-16.34,;15.54,-12.36,;14.07,-11.88,;13.17,-13.12,;11.63,-13.12,;10.87,-14.45,;11.64,-15.78,;9.33,-14.46,;8.55,-13.12,;9.33,-11.78,;10.86,-11.79,;11.64,-10.45,;7.01,-13.12,;5.46,-13.19,;6.98,-11.58,;7.06,-14.66,)| Show InChI InChI=1S/C14H14Cl2F3N3/c1-3-5-12-11(4-2)20-21-22(12)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214661
(4-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...)Show SMILES CCCc1c(CCl)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(.33,-36.35,;.81,-34.89,;-.22,-33.74,;.26,-32.27,;1.72,-31.8,;2.97,-32.71,;2.8,-34.24,;1.73,-30.26,;.26,-29.78,;-.64,-31.03,;-2.18,-31.02,;-2.94,-32.36,;-2.17,-33.69,;-4.48,-32.36,;-5.25,-31.02,;-4.48,-29.69,;-2.94,-29.69,;-2.17,-28.36,;-6.79,-31.02,;-8.35,-31.09,;-6.83,-29.48,;-6.74,-32.56,)| Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-11-10(6-14)20-21-22(11)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214647
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-ethyl...)Show SMILES CCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(12.11,-8.8,;11.08,-7.65,;11.56,-6.19,;13.03,-5.71,;14.27,-6.62,;13.03,-4.17,;11.56,-3.69,;10.66,-4.94,;9.12,-4.94,;8.36,-6.27,;9.14,-7.6,;6.83,-6.27,;6.05,-4.93,;6.82,-3.6,;8.36,-3.6,;9.13,-2.27,;4.51,-4.94,;2.96,-5,;4.47,-3.4,;4.56,-6.47,)| Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214648
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-di-np...)Show SMILES CCCc1nnn(c1CCC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.47,-16.5,;31.22,-15.59,;31.39,-14.06,;30.14,-13.15,;30.15,-11.61,;28.68,-11.13,;27.78,-12.38,;28.68,-13.62,;28.2,-15.09,;29.23,-16.23,;28.75,-17.7,;26.24,-12.37,;25.48,-13.71,;26.25,-15.04,;23.94,-13.71,;23.17,-12.37,;23.94,-11.04,;25.48,-11.04,;26.25,-9.71,;21.63,-12.37,;20.07,-12.44,;21.59,-10.83,;21.68,-13.91,)| Show InChI InChI=1S/C15H16Cl2F3N3/c1-3-5-12-13(6-4-2)23(22-21-12)14-10(16)7-9(8-11(14)17)15(18,19)20/h7-8H,3-6H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214666
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-methyl-...)Show SMILES CCCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(14.49,-9,;14.97,-7.54,;13.94,-6.39,;14.42,-4.93,;15.89,-4.45,;17.13,-5.36,;15.89,-2.91,;14.43,-2.43,;13.52,-3.68,;11.98,-3.68,;11.22,-5.01,;12,-6.34,;9.69,-5.01,;8.91,-3.67,;9.68,-2.34,;11.22,-2.34,;12,-1.01,;7.37,-3.68,;5.82,-3.74,;7.34,-2.14,;7.42,-5.21,)| Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)19-20-21(11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 539 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50214651
(1-(2,6-dichloro-4-trifluoromethylphenyl)-4-hydroxy...)Show SMILES CCCc1c(CO)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(13.9,-27.78,;14.38,-26.31,;13.35,-25.17,;13.83,-23.7,;15.3,-23.23,;16.54,-24.14,;16.38,-25.67,;15.3,-21.69,;13.83,-21.21,;12.93,-22.46,;11.39,-22.45,;10.63,-23.79,;11.41,-25.12,;9.1,-23.79,;8.32,-22.45,;9.09,-21.12,;10.63,-21.12,;11.41,-19.79,;6.78,-22.45,;5.23,-22.52,;6.75,-20.91,;6.83,-23.99,)| Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-11-10(6-22)19-20-21(11)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shimane University
Curated by ChEMBL
| Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells |
Bioorg Med Chem 15: 5090-104 (2007)
Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50106148
(5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]...)Show SMILES Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F |(7.75,-3.07,;6.27,-2.6,;5.81,-1.15,;4.26,-1.15,;3.77,-2.62,;5.03,-3.52,;5.06,-5.06,;6.39,-5.83,;7.72,-5.05,;6.39,-7.39,;5.06,-8.16,;3.73,-7.39,;3.73,-5.83,;2.39,-5.07,;5.06,-9.7,;3.82,-10.73,;6.32,-10.73,;5.06,-11.11,;3.35,.09,;2.43,1.35,;6.69,.11,;6.06,1.52,;8.24,-.05,;9.31,-.92,;8.92,1.36,;9.62,.13,)| Show InChI InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 | PDB
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University of California
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-EBOB binding to drosophila GABA-A receptor (range 1-28) |
Bioorg Med Chem Lett 11: 2979-81 (2001)
BindingDB Entry DOI: 10.7270/Q2KS6QTJ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50106149
(1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-tri...)Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc(cn1)C1(N=N1)C(F)(F)F |c:20| Show InChI InChI=1S/C12H4Cl2F6N4/c13-7-1-5(11(15,16)17)2-8(14)9(7)24-4-6(3-21-24)10(22-23-10)12(18,19)20/h1-4H | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-EBOB binding to human GABA-A receptor beta3 subunit (range 1-28) |
Bioorg Med Chem Lett 11: 2979-81 (2001)
BindingDB Entry DOI: 10.7270/Q2KS6QTJ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50106148
(5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]...)Show SMILES Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F |(7.75,-3.07,;6.27,-2.6,;5.81,-1.15,;4.26,-1.15,;3.77,-2.62,;5.03,-3.52,;5.06,-5.06,;6.39,-5.83,;7.72,-5.05,;6.39,-7.39,;5.06,-8.16,;3.73,-7.39,;3.73,-5.83,;2.39,-5.07,;5.06,-9.7,;3.82,-10.73,;6.32,-10.73,;5.06,-11.11,;3.35,.09,;2.43,1.35,;6.69,.11,;6.06,1.52,;8.24,-.05,;9.31,-.92,;8.92,1.36,;9.62,.13,)| Show InChI InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 | PDB
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CHEMBL
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-EBOB binding to drosophila GABA-A receptor (range 1-28) |
Bioorg Med Chem Lett 11: 2979-81 (2001)
BindingDB Entry DOI: 10.7270/Q2KS6QTJ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50106149
(1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-tri...)Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc(cn1)C1(N=N1)C(F)(F)F |c:20| Show InChI InChI=1S/C12H4Cl2F6N4/c13-7-1-5(11(15,16)17)2-8(14)9(7)24-4-6(3-21-24)10(22-23-10)12(18,19)20/h1-4H | PDB
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-EBOB binding to human GABA-A receptor beta3 subunit (range 1-28) |
Bioorg Med Chem Lett 11: 2979-81 (2001)
BindingDB Entry DOI: 10.7270/Q2KS6QTJ |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50395121
(CHEMBL2163548)Show SMILES CN1C(=O)NC(=O)[C@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F |r,c:22| Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m1/s1 | PDB
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PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by ChEMBL
| Assay Description
Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells |
J Med Chem 55: 6554-65 (2012)
Article DOI: 10.1021/jm300631e
BindingDB Entry DOI: 10.7270/Q25B03MX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50055935
(5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...)Show InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) | PDB
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Article
PubMed
| n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by ChEMBL
| Assay Description
Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells |
J Med Chem 55: 6554-65 (2012)
Article DOI: 10.1021/jm300631e
BindingDB Entry DOI: 10.7270/Q25B03MX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit beta-3
(Homo sapiens (Human)) | BDBM50395120
(CHEMBL2163549)Show SMILES CN1C(=O)NC(=O)[C@@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F |r,c:22| Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m0/s1 | PDB
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| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by ChEMBL
| Assay Description
Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells |
J Med Chem 55: 6554-65 (2012)
Article DOI: 10.1021/jm300631e
BindingDB Entry DOI: 10.7270/Q25B03MX |
More data for this
Ligand-Target Pair | |
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