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PubMed code 26235947

Compile data set for download or QSAR
Found 26 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
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116774
PNG
(CHEMBL3608796)
Show SMILES Clc1cccc(Nc2n[nH]c3ccc(Cl)cc23)c1
Show InChI InChI=1S/C13H9Cl2N3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18)
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n/an/a 5n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116776
PNG
(CHEMBL3608798)
Show SMILES Cc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H12ClN3/c1-9-5-6-13-12(7-9)14(18-17-13)16-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116778
PNG
(CHEMBL3608800)
Show SMILES COc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H12ClN3O/c1-19-11-5-6-13-12(8-11)14(18-17-13)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM3263
PNG
(4-Anilino quinazoline deriv. 14 | CHEMBL329672 | C...)
Show SMILES Clc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10ClN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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n/an/a 11n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116702
PNG
(CHEMBL3608697)
Show SMILES COc1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClNO3/c1-19-11-5-6-13(17)12(8-11)14(18)16-10-4-2-3-9(15)7-10/h2-8,17H,1H3,(H,16,18)
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n/an/a 15n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116709
PNG
(CHEMBL3608700)
Show SMILES Clc1cccc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12ClN/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H
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n/an/a 17n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116700
PNG
(CHEMBL3608699)
Show SMILES Clc1cccc(Nc2ccnc3ccccc23)c1
Show InChI InChI=1S/C15H11ClN2/c16-11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-10H,(H,17,18)
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n/an/a 18n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116775
PNG
(CHEMBL3608797)
Show SMILES Clc1cccc(Nc2n[nH]c3ccc(Br)cc23)c1
Show InChI InChI=1S/C13H9BrClN3/c14-8-4-5-12-11(6-8)13(18-17-12)16-10-3-1-2-9(15)7-10/h1-7H,(H2,16,17,18)
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n/an/a 21n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116703
PNG
(CHEMBL3608696)
Show SMILES Nc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116768
PNG
(CHEMBL3608702)
Show SMILES Clc1cccc(Nc2ncnc3ccsc23)c1
Show InChI InChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116773
PNG
(CHEMBL3608795)
Show SMILES Fc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C13H9ClFN3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116708
PNG
(CHEMBL2263368)
Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)
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n/an/a 58n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116772
PNG
(CHEMBL3608794)
Show SMILES Fc1cccc(Nc2n[nH]c3ccccc23)c1
Show InChI InChI=1S/C13H10FN3/c14-9-4-3-5-10(8-9)15-13-11-6-1-2-7-12(11)16-17-13/h1-8H,(H2,15,16,17)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116704
PNG
(CHEMBL3608695)
Show SMILES Nc1ccc(F)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10ClFN2O/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116771
PNG
(CHEMBL3608793)
Show SMILES Clc1cccc(Nc2n[nH]c3ccccc23)c1
Show InChI InChI=1S/C13H10ClN3/c14-9-4-3-5-10(8-9)15-13-11-6-1-2-7-12(11)16-17-13/h1-8H,(H2,15,16,17)
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n/an/a 84n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116781
PNG
(CHEMBL2263369)
Show SMILES Nc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H10ClFN2O/c14-10-7-8(5-6-11(10)15)17-13(18)9-3-1-2-4-12(9)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116770
PNG
(CHEMBL3608704)
Show SMILES Clc1cccc(NC2CCc3ccccc23)c1
Show InChI InChI=1S/C15H14ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,17H,8-9H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116705
PNG
(CHEMBL460481)
Show SMILES Oc1ccccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(11)16/h1-8,16H,(H,15,17)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116780
PNG
(CHEMBL3608803)
Show SMILES Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O/c14-8-5-9(15)7-10(6-8)17-13(18)11-3-1-2-4-12(11)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116777
PNG
(CHEMBL3608799)
Show SMILES FC(F)(F)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H9ClF3N3/c15-9-2-1-3-10(7-9)19-13-11-6-8(14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116769
PNG
(CHEMBL3608703)
Show SMILES Clc1cccc(Nc2ncnc3sccc23)c1
Show InChI InChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116712
PNG
(CHEMBL3608701)
Show SMILES Clc1cccc(Nc2nccc3occc23)c1
Show InChI InChI=1S/C13H9ClN2O/c14-9-2-1-3-10(8-9)16-13-11-5-7-17-12(11)4-6-15-13/h1-8H,(H,15,16)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116707
PNG
(CHEMBL3608693)
Show SMILES Nc1ccccc1C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C13H11FN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116706
PNG
(CHEMBL3608694)
Show SMILES CC(C)c1cccc(NC(=O)c2ccccc2N)c1
Show InChI InChI=1S/C16H18N2O/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17/h3-11H,17H2,1-2H3,(H,18,19)
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n/an/a 843n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116701
PNG
(CHEMBL3608698)
Show SMILES CCOc1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClNO3/c1-2-20-12-6-7-14(18)13(9-12)15(19)17-11-5-3-4-10(16)8-11/h3-9,18H,2H2,1H3,(H,17,19)
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n/an/a 925n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))		BDBM50116779
PNG
(CHEMBL3608801)
Show SMILES FC(F)(F)Oc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H9ClF3N3O/c15-8-2-1-3-9(6-8)19-13-11-7-10(22-14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)

Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%