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PubMed code 19522500

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ELOVL6 in mouse H2.35 cells assessed as reduction in elongation index using [14C]palmitic acid as radiotracer after 4 hrs by radio-HPLC...


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293790
PNG
(CHEMBL550828 | N-(4-Isopropylphenyl)-3-endo-(pheny...)
Show SMILES CC(C)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)cc1 |r,THB:18:16:10:12.13|
Show InChI InChI=1S/C23H28N2O3S/c1-16(2)17-8-10-18(11-9-17)24-23(26)25-19-12-13-20(25)15-22(14-19)29(27,28)21-6-4-3-5-7-21/h3-11,16,19-20,22H,12-15H2,1-2H3,(H,24,26)/t19-,20-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50378036
PNG
(CHEMBL1163008)
Show SMILES CC(=Nc1ccc(cc1)C(C)(C)C)N1C2CCC1CC(C2)S(=O)(=O)c1ccccc1 |w:2.2,TLB:1:13:18.19.20:15.16,THB:21:19:13:15.16|
Show InChI InChI=1S/C25H32N2O2S/c1-18(26-20-12-10-19(11-13-20)25(2,3)4)27-21-14-15-22(27)17-24(16-21)30(28,29)23-8-6-5-7-9-23/h5-13,21-22,24H,14-17H2,1-4H3
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n/an/a 78n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293792
PNG
(3-endo-(Pyridin-4-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccncc2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-1-3-14(4-2-13)25-19(27)26-15-5-6-16(26)12-18(11-15)30(28,29)17-7-9-24-10-8-17/h1-4,7-10,15-16,18H,5-6,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a 510n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293793
PNG
(3-endo-(Pyridin-3-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2cccnc2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-3-5-14(6-4-13)25-19(27)26-15-7-8-16(26)11-18(10-15)30(28,29)17-2-1-9-24-12-17/h1-6,9,12,15-16,18H,7-8,10-11H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293794
PNG
(3-endo-[(3-Chlorophenyl)sulfonyl]-N-[4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2cccc(Cl)c2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C21H20ClF3N2O3S/c22-14-2-1-3-18(10-14)31(29,30)19-11-16-8-9-17(12-19)27(16)20(28)26-15-6-4-13(5-7-15)21(23,24)25/h1-7,10,16-17,19H,8-9,11-12H2,(H,26,28)/t16-,17-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293795
PNG
(3-endo-[(3-Methoxyphenyl)sulfonyl]-N-[4-(trifluoro...)
Show SMILES COc1cccc(c1)S(=O)(=O)C1C[C@H]2CC[C@H](C1)N2C(=O)Nc1ccc(cc1)C(F)(F)F |r,TLB:8:11:18:14.15|
Show InChI InChI=1S/C22H23F3N2O4S/c1-31-18-3-2-4-19(13-18)32(29,30)20-11-16-9-10-17(12-20)27(16)21(28)26-15-7-5-14(6-8-15)22(23,24)25/h2-8,13,16-17,20H,9-12H2,1H3,(H,26,28)/t16-,17-/m1/s1
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n/an/a 840n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293796
PNG
(CHEMBL561155 | N-(4-Chlorophenyl)-3-endo-(phenylsu...)
Show SMILES Clc1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)cc1 |r,THB:16:14:8:10.11|
Show InChI InChI=1S/C20H21ClN2O3S/c21-14-6-8-15(9-7-14)22-20(24)23-16-10-11-17(23)13-19(12-16)27(25,26)18-4-2-1-3-5-18/h1-9,16-17,19H,10-13H2,(H,22,24)/t16-,17-/m1/s1
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n/an/a 970n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Mus musculus)
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL3 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293797
PNG
(3-endo-(Phenylsulfonyl)-N-[3-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1cccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)c1 |r,THB:20:18:12:14.15|
Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)14-5-4-6-15(11-14)25-20(27)26-16-9-10-17(26)13-19(12-16)30(28,29)18-7-2-1-3-8-18/h1-8,11,16-17,19H,9-10,12-13H2,(H,25,27)/t16-,17-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293798
PNG
(CHEMBL560023 | N-(4-Methylphenyl)-3-endo-(phenylsu...)
Show SMILES Cc1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)cc1 |r,THB:16:14:8:10.11|
Show InChI InChI=1S/C21H24N2O3S/c1-15-7-9-16(10-8-15)22-21(24)23-17-11-12-18(23)14-20(13-17)27(25,26)19-5-3-2-4-6-19/h2-10,17-18,20H,11-14H2,1H3,(H,22,24)/t17-,18-/m1/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293799
PNG
(CHEMBL564891 | [3-endo-(Phenylsulfonyl)-8-azabicyc...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1[C@@H]2CC[C@@H]1CC(C2)S(=O)(=O)c1ccccc1 |r,THB:20:18:12:14.15|
Show InChI InChI=1S/C21H20F3NO3S/c22-21(23,24)15-8-6-14(7-9-15)20(26)25-16-10-11-17(25)13-19(12-16)29(27,28)18-4-2-1-3-5-18/h1-9,16-17,19H,10-13H2/t16-,17-/m1/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293800
PNG
(3-endo-[(4-Chlorophenyl)sulfonyl]-N-[4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccc(Cl)cc2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C21H20ClF3N2O3S/c22-14-3-9-18(10-4-14)31(29,30)19-11-16-7-8-17(12-19)27(16)20(28)26-15-5-1-13(2-6-15)21(23,24)25/h1-6,9-10,16-17,19H,7-8,11-12H2,(H,26,28)/t16-,17-/m1/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293801
PNG
(3-endo-[(2-Chlorophenyl)sulfonyl]-N-[4-(trifluorom...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2Cl)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C21H20ClF3N2O3S/c22-18-3-1-2-4-19(18)31(29,30)17-11-15-9-10-16(12-17)27(15)20(28)26-14-7-5-13(6-8-14)21(23,24)25/h1-8,15-17H,9-12H2,(H,26,28)/t15-,16-/m1/s1
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n/an/a 3.39E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293802
PNG
(CHEMBL550627 | N-(4-Methoxyphenyl)-3-endo-(phenyls...)
Show SMILES COc1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)cc1 |r,THB:17:15:9:11.12|
Show InChI InChI=1S/C21H24N2O4S/c1-27-18-11-7-15(8-12-18)22-21(24)23-16-9-10-17(23)14-20(13-16)28(25,26)19-5-3-2-4-6-19/h2-8,11-12,16-17,20H,9-10,13-14H2,1H3,(H,22,24)/t16-,17-/m1/s1
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n/an/a 5.07E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293803
PNG
(3-endo-[(4-Methoxyphenyl)sulfonyl]-N-[4-(trifluoro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1C[C@H]2CC[C@H](C1)N2C(=O)Nc1ccc(cc1)C(F)(F)F |r,TLB:8:11:18:14.15|
Show InChI InChI=1S/C22H23F3N2O4S/c1-31-18-8-10-19(11-9-18)32(29,30)20-12-16-6-7-17(13-20)27(16)21(28)26-15-4-2-14(3-5-15)22(23,24)25/h2-5,8-11,16-17,20H,6-7,12-13H2,1H3,(H,26,28)/t16-,17-/m1/s1
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n/an/a 5.63E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens (Human))
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a 6.94E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293804
PNG
(3-endo-[(2-Methoxyphenyl)sulfonyl]-N-[4-(trifluoro...)
Show SMILES COc1ccccc1S(=O)(=O)C1C[C@H]2CC[C@H](C1)N2C(=O)Nc1ccc(cc1)C(F)(F)F |r,TLB:8:11:18:14.15|
Show InChI InChI=1S/C22H23F3N2O4S/c1-31-19-4-2-3-5-20(19)32(29,30)18-12-16-10-11-17(13-18)27(16)21(28)26-15-8-6-14(7-9-15)22(23,24)25/h2-9,16-18H,10-13H2,1H3,(H,26,28)/t16-,17-/m1/s1
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n/an/a 7.97E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293812
PNG
(1-[3-endo-(Phenylsulfonyl)-8-azabicyclo[3.2.1]oct-...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C22H22F3NO3S/c23-22(24,25)16-8-6-15(7-9-16)12-21(27)26-17-10-11-18(26)14-20(13-17)30(28,29)19-4-2-1-3-5-19/h1-9,17-18,20H,10-14H2/t17-,18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293809
PNG
(CHEMBL560232 | N-(4-Fluorophenyl)-3-endo-(phenylsu...)
Show SMILES Fc1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)cc1 |r,THB:16:14:8:10.11|
Show InChI InChI=1S/C20H21FN2O3S/c21-14-6-8-15(9-7-14)22-20(24)23-16-10-11-17(23)13-19(12-16)27(25,26)18-4-2-1-3-5-18/h1-9,16-17,19H,10-13H2,(H,22,24)/t16-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293808
PNG
(3-endo-(Phenylsulfonyl)-N-(pyridin-4-yl)-8-azabicy...)
Show SMILES O=C(Nc1ccncc1)N1[C@@H]2CC[C@@H]1CC(C2)S(=O)(=O)c1ccccc1 |r,THB:17:15:9:11.12|
Show InChI InChI=1S/C19H21N3O3S/c23-19(21-14-8-10-20-11-9-14)22-15-6-7-16(22)13-18(12-15)26(24,25)17-4-2-1-3-5-17/h1-5,8-11,15-16,18H,6-7,12-13H2,(H,20,21,23)/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293807
PNG
(3-endo-(Phenylsulfonyl)-N-(pyridin-3-yl)-8-azabicy...)
Show SMILES O=C(Nc1cccnc1)N1[C@@H]2CC[C@@H]1CC(C2)S(=O)(=O)c1ccccc1 |r,THB:17:15:9:11.12|
Show InChI InChI=1S/C19H21N3O3S/c23-19(21-14-5-4-10-20-13-14)22-15-8-9-16(22)12-18(11-15)26(24,25)17-6-2-1-3-7-17/h1-7,10,13,15-16,18H,8-9,11-12H2,(H,21,23)/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 2


(Homo sapiens (Human))
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL2 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293811
PNG
(3-endo-(Phenylsulfonyl)-N-[2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)N1[C@@H]2CC[C@@H]1CC(C2)S(=O)(=O)c1ccccc1 |r,THB:21:19:13:15.16|
Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)18-8-4-5-9-19(18)25-20(27)26-14-10-11-15(26)13-17(12-14)30(28,29)16-6-2-1-3-7-16/h1-9,14-15,17H,10-13H2,(H,25,27)/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293810
PNG
(CHEMBL563778 | N-(4-Biphenyl)-3-endo-(phenylsulfon...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)N1[C@@H]2CC[C@@H]1CC(C2)S(=O)(=O)c1ccccc1 |r,THB:23:21:15:17.18|
Show InChI InChI=1S/C26H26N2O3S/c29-26(27-21-13-11-20(12-14-21)19-7-3-1-4-8-19)28-22-15-16-23(28)18-25(17-22)32(30,31)24-9-5-2-6-10-24/h1-14,22-23,25H,15-18H2,(H,27,29)/t22-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293791
PNG
(3-exo-(Phenylsulfonyl)-N-[4-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccc2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)14-6-8-15(9-7-14)25-20(27)26-16-10-11-17(26)13-19(12-16)30(28,29)18-4-2-1-3-5-18/h1-9,16-17,19H,10-13H2,(H,25,27)/t16-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293806
PNG
(3-endo-(Phenylsulfonyl)-N-(pyridin-2-yl)-8-azabicy...)
Show SMILES O=C(Nc1ccccn1)N1[C@@H]2CC[C@@H]1CC(C2)S(=O)(=O)c1ccccc1 |r,THB:17:15:9:11.12|
Show InChI InChI=1S/C19H21N3O3S/c23-19(21-18-8-4-5-11-20-18)22-14-9-10-15(22)13-17(12-14)26(24,25)16-6-2-1-3-7-16/h1-8,11,14-15,17H,9-10,12-13H2,(H,20,21,23)/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293805
PNG
(CHEMBL563279 | N-Phenyl-3-endo-(phenylsulfonyl)-8-...)
Show SMILES O=C(Nc1ccccc1)N1[C@@H]2CC[C@@H]1CC(C2)S(=O)(=O)c1ccccc1 |r,THB:17:15:9:11.12|
Show InChI InChI=1S/C20H22N2O3S/c23-20(21-15-7-3-1-4-8-15)22-16-11-12-17(22)14-19(13-16)26(24,25)18-9-5-2-6-10-18/h1-10,16-17,19H,11-14H2,(H,21,23)/t16-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 5


(Homo sapiens (Human))
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL5 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293814
PNG
(3-(Phenylsulfonyl)-N-[4-(trifluoromethyl)phenyl]pi...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H19F3N2O3S/c20-19(21,22)14-6-8-15(9-7-14)23-18(25)24-12-10-17(11-13-24)28(26,27)16-4-2-1-3-5-16/h1-9,17H,10-13H2,(H,23,25)
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50293813
PNG
(3-endo-(Phenylsulfinyl)-N-[4-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)c2ccccc2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C21H21F3N2O2S/c22-21(23,24)14-6-8-15(9-7-14)25-20(27)26-16-10-11-17(26)13-19(12-16)29(28)18-4-2-1-3-5-18/h1-9,16-17,19H,10-13H2,(H,25,27)/t16-,17-,29?/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 1


(Homo sapiens (Human))
BDBM50293789
PNG
(3-endo-(Pyridin-2-ylsulfonyl)-N-[4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1 |r,THB:19:17:11:13.14|
Show InChI InChI=1S/C20H20F3N3O3S/c21-20(22,23)13-4-6-14(7-5-13)25-19(27)26-15-8-9-16(26)12-17(11-15)30(28,29)18-3-1-2-10-24-18/h1-7,10,15-17H,8-9,11-12H2,(H,25,27)/t15-,16-/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL1 expressed in Pichia pastoris SND1168


J Med Chem 52: 4111-4 (2009)


Article DOI: 10.1021/jm900488k
BindingDB Entry DOI: 10.7270/Q25D8SRQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%