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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'GABA receptor subunit' AND taxid = 7370   
Target
(Institution)
LigandTarget
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
GABA receptor subunit


(Musca domestica)
BDBM50179909
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-methy...)
Show SMILES CC1CCc2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H11Cl2F3N2/c1-7-2-3-12-9(7)6-21(20-12)13-10(15)4-8(5-11(13)16)14(17,18)19/h4-7H,2-3H2,1H3
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179898
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4,4,6,6...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2c(n1)C(F)(F)CC2(F)F
Show InChI InChI=1S/C13H5Cl2F7N2/c14-7-1-5(13(20,21)22)2-8(15)9(7)24-3-6-10(23-24)12(18,19)4-11(6,16)17/h1-3H,4H2
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179896
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-2,4,5,6...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2CCCc2n1
Show InChI InChI=1S/C13H9Cl2F3N2/c14-9-4-8(13(16,17)18)5-10(15)12(9)20-6-7-2-1-3-11(7)19-20/h4-6H,1-3H2
KEGG

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Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179912
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4,4-dif...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2c(CCC2(F)F)n1
Show InChI InChI=1S/C13H7Cl2F5N2/c14-8-3-6(13(18,19)20)4-9(15)11(8)22-5-7-10(21-22)1-2-12(7,16)17/h3-5H,1-2H2
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179903
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,5-dif...)
Show SMILES CC1(O)c2cn(nc2CC1(F)F)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F5N2O/c1-12(24)7-5-23(22-10(7)4-13(12,17)18)11-8(15)2-6(3-9(11)16)14(19,20)21/h2-3,5,24H,4H2,1H3
KEGG

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PC sid
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179908
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-fluor...)
Show SMILES COC1(C)C(F)Cc2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C15H12Cl2F4N2O/c1-14(24-2)8-6-23(22-11(8)5-12(14)18)13-9(16)3-7(4-10(13)17)15(19,20)21/h3-4,6,12H,5H2,1-2H3
KEGG

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179905
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,6-dif...)
Show SMILES FC1Cc2cn(nc2C1F)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H7Cl2F5N2/c14-7-2-6(13(18,19)20)3-8(15)12(7)22-4-5-1-9(16)10(17)11(5)21-22/h2-4,9-10H,1H2
KEGG

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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179897
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,5-dif...)
Show SMILES FC(F)(F)c1cc(Cl)c(c(Cl)c1)-n1cc2CC(F)(F)Cc2n1
Show InChI InChI=1S/C13H7Cl2F5N2/c14-8-1-7(13(18,19)20)2-9(15)11(8)22-5-6-3-12(16,17)4-10(6)21-22/h1-2,5H,3-4H2
KEGG

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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179907
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-6-fluor...)
Show SMILES FC1CCc2cn(nc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H8Cl2F4N2/c14-8-3-7(13(17,18)19)4-9(15)12(8)21-5-6-1-2-10(16)11(6)20-21/h3-5,10H,1-2H2
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179911
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-fluor...)
Show SMILES Oc1c(F)cc2[nH]n(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H6Cl2F4N2O/c14-7-1-5(13(17,18)19)2-8(15)11(7)21-4-6-10(20-21)3-9(16)12(6)22/h1-4,20,22H
KEGG

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UniChem

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Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179906
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,6-dif...)
Show SMILES CC1(O)C(F)C(F)c2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F5N2O/c1-13(24)6-4-23(22-10(6)9(17)12(13)18)11-7(15)2-5(3-8(11)16)14(19,20)21/h2-4,9,12,24H,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179904
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5,6-dih...)
Show SMILES Oc1ccc2[nH]n(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H7Cl2F3N2O/c14-8-3-6(13(16,17)18)4-9(15)12(8)20-5-7-10(19-20)1-2-11(7)21/h1-5,19,21H
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair
GABA receptor subunit


(Musca domestica)
BDBM50179899
PNG
(2-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-fluor...)
Show SMILES FC1CCc2nn(cc12)-c1c(Cl)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H8Cl2F4N2/c14-8-3-6(13(17,18)19)4-9(15)12(8)21-5-7-10(16)1-2-11(7)20-21/h3-5,10H,1-2H2
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor


Bioorg Med Chem Lett 16: 1702-6 (2006)

More data for this
Ligand-Target Pair