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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Elongation of very long chain fatty acids protein 6' AND taxid = 10090   
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
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ELOVL6 in mouse H2.35 cells assessed as elongation index


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299963
PNG
(4-Fluoro-N-{[(+)-2-oxo-6-(1H-pyrazol-4-yl)-4-(trif...)
Show SMILES Fc1ccc(cc1)C(=O)NCC1(OC(=O)Nc2ccc(cc12)-c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4O3/c21-14-4-1-11(2-5-14)17(29)25-10-19(20(22,23)24)15-7-12(13-8-26-27-9-13)3-6-16(15)28-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,27)(H,28,30)
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n/an/a 20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299948
PNG
(CHEMBL572158 | N-{[(+)-6-Chloro-2-oxo-4-(trifluoro...)
Show SMILES Fc1ccc(cc1)C(=O)NCC1(OC(=O)Nc2ccc(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C17H11ClF4N2O3/c18-10-3-6-13-12(7-10)16(17(20,21)22,27-15(26)24-13)8-23-14(25)9-1-4-11(19)5-2-9/h1-7H,8H2,(H,23,25)(H,24,26)
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n/an/a 26n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299965
PNG
(4-Fluoro-N-{[(+)-2-oxo-6-(1H-pyrazol-1-yl)-4-(trif...)
Show SMILES Fc1ccc(cc1)C(=O)NCC1(OC(=O)Nc2ccc(cc12)-n1cccn1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-2-12(3-5-13)17(29)25-11-19(20(22,23)24)15-10-14(28-9-1-8-26-28)6-7-16(15)27-18(30)31-19/h1-10H,11H2,(H,25,29)(H,27,30)
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n/an/a 29n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay


J Med Chem 52: 7289-300 (2009)

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
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)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299946
PNG
(1-{[(-)-6-Chloro-2-oxo-4-(trifluoromethyl)-1,4-dih...)
Show SMILES Fc1ccc(NC(=O)NCC2(OC(=O)Nc3ccc(Cl)cc23)C(F)(F)F)cc1
Show InChI InChI=1S/C17H12ClF4N3O3/c18-9-1-6-13-12(7-9)16(17(20,21)22,28-15(27)25-13)8-23-14(26)24-11-4-2-10(19)3-5-11/h1-7H,8H2,(H,25,27)(H2,23,24,26)
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n/an/a 31n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50249892
PNG
(6,6-dimethyl-3-{5-methyl-3-oxo-2-[4-(trifluorometh...)
Show SMILES Cc1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H23F6N3O4/c1-15-21(23(39)37(35-15)17-9-11-18(12-10-17)41-28(32,33)34)26(27(29,30)31)22-19(13-25(2,3)14-20(22)38)36(24(26)40)16-7-5-4-6-8-16/h4-12,35H,13-14H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in african green monkey COS7 cells


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299963
PNG
(4-Fluoro-N-{[(+)-2-oxo-6-(1H-pyrazol-4-yl)-4-(trif...)
Show SMILES Fc1ccc(cc1)C(=O)NCC1(OC(=O)Nc2ccc(cc12)-c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4O3/c21-14-4-1-11(2-5-14)17(29)25-10-19(20(22,23)24)15-7-12(13-8-26-27-9-13)3-6-16(15)28-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,27)(H,28,30)
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n/an/a 50n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ELOVL6 in mouse H2.35 cells assessed as elongation index


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299965
PNG
(4-Fluoro-N-{[(+)-2-oxo-6-(1H-pyrazol-1-yl)-4-(trif...)
Show SMILES Fc1ccc(cc1)C(=O)NCC1(OC(=O)Nc2ccc(cc12)-n1cccn1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-2-12(3-5-13)17(29)25-11-19(20(22,23)24)15-10-14(28-9-1-8-26-28)6-7-16(15)27-18(30)31-19/h1-10H,11H2,(H,25,29)(H,27,30)
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n/an/a 58n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ELOVL6 in mouse H2.35 cells assessed as elongation index


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50298968
PNG
((1R*,4S*,6R*)-(+/-)-2-[(1-Methyl-1H-imidazol-4-yl)...)
Show SMILES CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(C3)S(=O)(=O)c2cn(C)cn2)cc1
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)29-17-7-5-16(6-8-17)23-21(26)18-10-15-4-9-19(18)25(11-15)30(27,28)20-12-24(3)13-22-20/h5-8,12-15,18-19H,4,9-11H2,1-3H3,(H,23,26)/t15-,18+,19-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal V5-epitope-tagged mouse ELOVL6 expressed in african green monkey COS7 cells


Bioorg Med Chem 17: 5639-47 (2009)

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
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)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299948
PNG
(CHEMBL572158 | N-{[(+)-6-Chloro-2-oxo-4-(trifluoro...)
Show SMILES Fc1ccc(cc1)C(=O)NCC1(OC(=O)Nc2ccc(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C17H11ClF4N2O3/c18-10-3-6-13-12(7-10)16(17(20,21)22,27-15(26)24-13)8-23-14(25)9-1-4-11(19)5-2-9/h1-7H,8H2,(H,23,25)(H,24,26)
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n/an/a 131n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ELOVL6 in mouse H2.35 cells assessed as elongation index


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299946
PNG
(1-{[(-)-6-Chloro-2-oxo-4-(trifluoromethyl)-1,4-dih...)
Show SMILES Fc1ccc(NC(=O)NCC2(OC(=O)Nc3ccc(Cl)cc23)C(F)(F)F)cc1
Show InChI InChI=1S/C17H12ClF4N3O3/c18-9-1-6-13-12(7-9)16(17(20,21)22,28-15(27)25-13)8-23-14(26)24-11-4-2-10(19)3-5-11/h1-7H,8H2,(H,25,27)(H2,23,24,26)
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n/an/a 377n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ELOVL6 in mouse H2.35 cells assessed as elongation index


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair