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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Elongation of very long chain fatty acids protein 3' AND taxid = 9606   
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 3


(Homo sapiens)
BDBM50250164
PNG
(6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydr...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N3O3/c1-16-21(23(35)33(31-16)18-12-8-5-9-13-18)26(27(28,29)30)22-19(14-25(2,3)15-20(22)34)32(24(26)36)17-10-6-4-7-11-17/h4-13,31H,14-15H2,1-3H3
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n/an/a>10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
BDBM50249844
PNG
(3-[2-(4-isopropylphenyl)-5-methyl-3-oxo-2,3-dihydr...)
Show SMILES CC(C)c1ccc(cc1)-n1[nH]c(C)c(c1=O)C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H30F3N3O3/c1-17(2)19-11-13-21(14-12-19)36-26(38)24(18(3)34-36)29(30(31,32)33)25-22(15-28(4,5)16-23(25)37)35(27(29)39)20-9-7-6-8-10-20/h6-14,17,34H,15-16H2,1-5H3
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n/an/a 59n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
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 130n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3


J Med Chem 52: 7289-300 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
BDBM50249791
PNG
(3-[2-(4-chlorophenyl)-5-methyl-3-oxo-2,3-dihydro-1...)
Show SMILES Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H23ClF3N3O3/c1-15-21(23(36)34(32-15)18-11-9-16(28)10-12-18)26(27(29,30)31)22-19(13-25(2,3)14-20(22)35)33(24(26)37)17-7-5-4-6-8-17/h4-12,32H,13-14H2,1-3H3
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n/an/a 221n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
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 337n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
BDBM50249891
PNG
(3-[2-(4-methyllphenyl)-5-methyl-3-oxo-2,3-dihydro-...)
Show SMILES Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N3O3/c1-16-10-12-19(13-11-16)34-24(36)22(17(2)32-34)27(28(29,30)31)23-20(14-26(3,4)15-21(23)35)33(25(27)37)18-8-6-5-7-9-18/h5-13,32H,14-15H2,1-4H3
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n/an/a 375n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
BDBM50249815
PNG
(3-[2-(4-methoxyphenyl)-5-methyl-3-oxo-2,3-dihydro-...)
Show SMILES COc1ccc(cc1)-n1[nH]c(C)c(c1=O)C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N3O4/c1-16-22(24(36)34(32-16)18-10-12-19(38-4)13-11-18)27(28(29,30)31)23-20(14-26(2,3)15-21(23)35)33(25(27)37)17-8-6-5-7-9-17/h5-13,32H,14-15H2,1-4H3
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n/an/a 503n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
BDBM50249843
PNG
(3-[2-(4-cyanophenyl)-5-methyl-3-oxo-2,3-dihydro-1H...)
Show SMILES Cc1[nH]n(-c2ccc(cc2)C#N)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C28H23F3N4O3/c1-16-22(24(37)35(33-16)19-11-9-17(15-32)10-12-19)27(28(29,30)31)23-20(13-26(2,3)14-21(23)36)34(25(27)38)18-7-5-4-6-8-18/h4-12,33H,13-14H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation


J Med Chem 52: 3142-5 (2009)

More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens)
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 1.51E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of C-terminal V5-epitope-tagged human ELOVL3 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 3


(Homo sapiens)
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 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)

More data for this
Ligand-Target Pair