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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with Target = 'Fatty acid desaturase 1' 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
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 8n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 34n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 50n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 59n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 67n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50116770
PNG
(CHEMBL3608704)
Show SMILES Clc1cccc(NC2CCc3ccccc23)c1
Show InChI InChI=1/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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n/an/a 173n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 174n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 245n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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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n/an/a 254n/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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50329966
PNG
(2-(2'-fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-b...)
Show SMILES CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C20H15FN2O2S/c1-26(24,25)15-10-11-18-19(12-15)23-20(22-18)14-8-6-13(7-9-14)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,23)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Delta(5) fatty acid desaturase in human HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50312701
PNG
(5-methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piper...)
Show SMILES Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of delta5 desaturase in human HepG2 cells assessed as [14C]eicosatrienoic acid to [14C]arachidonic acid conversion pretreated 15 mins befo...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50364036
PNG
(CHEMBL1950546)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1
Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of delta-5 desaturase expressed in HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50301057
PNG
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Show SMILES NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to delta-5 saturase in human HepG2 cells by whole cell assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50362583
PNG
(CHEMBL1938871)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl
Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta-5 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50393165
PNG
(CHEMBL2153600)
Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1
Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50393166
PNG
(CHEMBL2153601)
Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C16H15BrFN7O3S/c17-11-2-1-9(18)7-12(11)28-10-3-5-24(6-4-10)16-21-20-15(29-16)14-19-23-25(22-14)8-13(26)27/h1-2,7,10H,3-6,8H2,(H,26,27)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50305768
PNG
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Show SMILES Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
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n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50362592
PNG
(CHEMBL1938870)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens)
BDBM50393164
PNG
(CHEMBL2153599)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nnc(s1)-c1nnn[nH]1
Show InChI InChI=1S/C15H14F3N7OS/c16-15(17,18)10-3-1-2-4-11(10)26-9-5-7-25(8-6-9)14-22-21-13(27-14)12-19-23-24-20-12/h1-4,9H,5-8H2,(H,19,20,23,24)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells


Citation and Details
More data for this
Ligand-Target Pair