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There are 11 purchasable compounds for target: Acyl-CoA desaturase 1

Wt: 330.8
BDBM50261894
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Wt: 434.4
BDBM50262531
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Wt: 353.4
BDBM50262533
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Wt: 422.4
BDBM50296537
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Wt: 392.3
BDBM50296538
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Wt: 418.4
BDBM50296533
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Wt: 384.3
BDBM50301057
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Wt: 341.3
BDBM50301058
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Wt: 385.3
BDBM50301059
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Wt: 467.2
BDBM50362592
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Wt: 389.8
BDBM50371060
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Wt: 484.3
BDBM50393166
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Wt: 465.4
BDBM50424802
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50261894,50262531,50262533,50296537,50296538,50296533,50301057,50301058,50301059,50362592,50371060,50393166,50424802   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50371060
PNG
(CHEMBL226646)
Show SMILES Cc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl
Show InChI InChI=1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50424802
PNG
(CHEMBL2315130)
Show SMILES Fc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1)C(F)(F)F
Show InChI InChI=1S/C22H23F4N5O2/c23-15-3-4-17(22(24,25)26)16(13-15)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)
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n/an/a 14n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...


J Med Chem 56: 568-83 (2013)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50262531
PNG
(CHEMBL476103 | N-(3-(methylcarbamoyl)phenyl)-4-(2-...)
Show SMILES CNC(=O)c1cccc(NC(=O)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N4O3/c1-25-18(29)14-5-4-6-15(13-14)26-20(31)28-11-9-27(10-12-28)19(30)16-7-2-3-8-17(16)21(22,23)24/h2-8,13H,9-12H2,1H3,(H,25,29)(H,26,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD1


Bioorg Med Chem Lett 18: 4298-302 (2008)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50261894
PNG
(4-(2-chlorophenoxy)-N-phenylpiperidine-1-carboxami...)
Show SMILES Clc1ccccc1OC1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H19ClN2O2/c19-16-8-4-5-9-17(16)23-15-10-12-21(13-11-15)18(22)20-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD1


Bioorg Med Chem Lett 18: 4298-302 (2008)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296533
PNG
(3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzy...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ncc(Cc3cccc(c3)C(F)(F)F)s2)cc1
Show InChI InChI=1S/C21H17F3N2O2S/c1-28-17-8-5-14(6-9-17)7-10-19(27)26-20-25-13-18(29-20)12-15-3-2-4-16(11-15)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,26,27)/b10-7+
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n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296537
PNG
(3,4-dimethoxy-N-(5-(3-(trifluoromethyl)benzyl)thia...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C20H17F3N2O3S/c1-27-16-7-6-13(10-17(16)28-2)18(26)25-19-24-11-15(29-19)9-12-4-3-5-14(8-12)20(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25,26)
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n/an/a 76n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296538
PNG
(3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-...)
Show SMILES COc1cccc(c1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C19H15F3N2O2S/c1-26-15-7-3-5-13(10-15)17(25)24-18-23-11-16(27-18)9-12-4-2-6-14(8-12)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,23,24,25)
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n/an/a 193n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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 100n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA


Bioorg Med Chem Lett 19: 5214-7 (2009)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50301058
PNG
((4-(thiazol-2-yl)piperazin-1-yl)(2-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1nccs1
Show InChI InChI=1S/C15H14F3N3OS/c16-15(17,18)12-4-2-1-3-11(12)13(22)20-6-8-21(9-7-20)14-19-5-10-23-14/h1-5,10H,6-9H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA


Bioorg Med Chem Lett 19: 5214-7 (2009)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50301059
PNG
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Show SMILES OC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)11-4-2-1-3-10(11)13(23)21-5-7-22(8-6-21)15-20-9-12(26-15)14(24)25/h1-4,9H,5-8H2,(H,24,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA


Bioorg Med Chem Lett 19: 5214-7 (2009)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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 106n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Bioorg Med Chem Lett 20: 1593-7 (2010)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD by rat microsomal assay


Bioorg Med Chem Lett 21: 6505-9 (2011)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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 68n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat hepatocytes expressing OATP


Bioorg Med Chem Lett 22: 623-7 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
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 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD-1


Bioorg Med Chem Lett 22: 980-4 (2012)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting


J Med Chem 54: 5082-96 (2011)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting


J Med Chem 54: 5082-96 (2011)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD-1 activity in Sprague-Dawley rat Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] st...


J Med Chem 54: 5082-96 (2011)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD-1 activity in Sprague-Dawley rat Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] st...


J Med Chem 54: 5082-96 (2011)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD-1


J Med Chem 54: 5082-96 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD-1


J Med Chem 54: 5082-96 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50262533
PNG
(CHEMBL518741 | N-(3-(methylcarbamoyl)phenyl)-4-phe...)
Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2)c1
Show InChI InChI=1S/C20H23N3O3/c1-21-19(24)15-6-5-7-16(14-15)22-20(25)23-12-10-18(11-13-23)26-17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,21,24)(H,22,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD1


Bioorg Med Chem Lett 18: 4298-302 (2008)

More data for this
Ligand-Target Pair