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PubMed code 19540759

Compile data set for download or QSAR
Found 61 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 desaturase 1


(Mus musculus)		BDBM50296527
PNG
(CHEMBL552269 | N-(5-(3,5-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296528
PNG
(CHEMBL557445 | N-(5-(4-fluoro-3-(trifluoromethyl)b...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296295
PNG
(CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1
Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296295
PNG
(CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1
Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296528
PNG
(CHEMBL557445 | N-(5-(4-fluoro-3-(trifluoromethyl)b...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296526
PNG
(CHEMBL552126 | N-(5-(3,5-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296531
PNG
(CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296531
PNG
(CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296529
PNG
(CHEMBL552270 | N-(5-(3-chloro-4-fluorobenzyl)thiaz...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1
Show InChI InChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296522
PNG
(CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296526
PNG
(CHEMBL552126 | N-(5-(3,5-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296521
PNG
(CHEMBL559108 | N-(5-(3-fluorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(F)c2)s1
Show InChI InChI=1S/C20H19FN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
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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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296294
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296530
PNG
(CHEMBL557652 | N-(5-(3,4-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296529
PNG
(CHEMBL552270 | N-(5-(3-chloro-4-fluorobenzyl)thiaz...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1
Show InChI InChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296527
PNG
(CHEMBL552269 | N-(5-(3,5-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		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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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296513
PNG
(4-(2-hydroxyethoxy)-3-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1cc(ccc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-18-11-14(5-6-17(18)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296524
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(OC(F)(F)F)c2)s1
Show InChI InChI=1S/C21H19F3N2O5S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(32-20)10-13-3-2-4-15(9-13)31-21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
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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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296294
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296524
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(OC(F)(F)F)c2)s1
Show InChI InChI=1S/C21H19F3N2O5S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(32-20)10-13-3-2-4-15(9-13)31-21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296522
PNG
(CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296534
PNG
(6-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-...)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C23H17F3N2O2S/c1-30-19-8-7-15-11-17(6-5-16(15)12-19)21(29)28-22-27-13-20(31-22)10-14-3-2-4-18(9-14)23(24,25)26/h2-9,11-13H,10H2,1H3,(H,27,28,29)
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n/an/a 5n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296528
PNG
(CHEMBL557445 | N-(5-(4-fluoro-3-(trifluoromethyl)b...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296525
PNG
(CHEMBL556495 | N-(5-(2,5-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-2-12(10-18(17)28-7-6-25)19(26)24-20-23-11-15(29-20)9-13-8-14(21)3-4-16(13)22/h2-5,8,10-11,25H,6-7,9H2,1H3,(H,23,24,26)
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n/an/a 9n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296530
PNG
(CHEMBL557652 | N-(5-(3,4-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296522
PNG
(CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296534
PNG
(6-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-...)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C23H17F3N2O2S/c1-30-19-8-7-15-11-17(6-5-16(15)12-19)21(29)28-22-27-13-20(31-22)10-14-3-2-4-18(9-14)23(24,25)26/h2-9,11-13H,10H2,1H3,(H,27,28,29)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296513
PNG
(4-(2-hydroxyethoxy)-3-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1cc(ccc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-18-11-14(5-6-17(18)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296521
PNG
(CHEMBL559108 | N-(5-(3-fluorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(F)c2)s1
Show InChI InChI=1S/C20H19FN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296526
PNG
(CHEMBL552126 | N-(5-(3,5-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296531
PNG
(CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296529
PNG
(CHEMBL552270 | N-(5-(3-chloro-4-fluorobenzyl)thiaz...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1
Show InChI InChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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n/an/a 17n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296532
PNG
(CHEMBL561530 | N-(5-(3-fluoro-4-methylbenzyl)thiaz...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1
Show InChI InChI=1S/C21H21FN2O4S/c1-13-3-4-14(10-17(13)22)9-16-12-23-21(29-16)24-20(26)15-5-6-18(27-2)19(11-15)28-8-7-25/h3-6,10-12,25H,7-9H2,1-2H3,(H,23,24,26)
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n/an/a 22n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296295
PNG
(CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1
Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296530
PNG
(CHEMBL557652 | N-(5-(3,4-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296521
PNG
(CHEMBL559108 | N-(5-(3-fluorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(F)c2)s1
Show InChI InChI=1S/C20H19FN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296524
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(OC(F)(F)F)c2)s1
Show InChI InChI=1S/C21H19F3N2O5S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(32-20)10-13-3-2-4-15(9-13)31-21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
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n/an/a 59n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296532
PNG
(CHEMBL561530 | N-(5-(3-fluoro-4-methylbenzyl)thiaz...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1
Show InChI InChI=1S/C21H21FN2O4S/c1-13-3-4-14(10-17(13)22)9-16-12-23-21(29-16)24-20(26)15-5-6-18(27-2)19(11-15)28-8-7-25/h3-6,10-12,25H,7-9H2,1-2H3,(H,23,24,26)
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n/an/a 82n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296527
PNG
(CHEMBL552269 | N-(5-(3,5-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
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n/an/a 116n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296525
PNG
(CHEMBL556495 | N-(5-(2,5-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-2-12(10-18(17)28-7-6-25)19(26)24-20-23-11-15(29-20)9-13-8-14(21)3-4-16(13)22/h2-5,8,10-11,25H,6-7,9H2,1H3,(H,23,24,26)
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n/an/a 125n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		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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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296525
PNG
(CHEMBL556495 | N-(5-(2,5-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-2-12(10-18(17)28-7-6-25)19(26)24-20-23-11-15(29-20)9-13-8-14(21)3-4-16(13)22/h2-5,8,10-11,25H,6-7,9H2,1H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296516
PNG
(3-methoxy-4-(2-morpholinoethoxy)-N-(5-(3-(trifluor...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C25H26F3N3O4S/c1-33-22-15-18(5-6-21(22)35-12-9-31-7-10-34-11-8-31)23(32)30-24-29-16-20(36-24)14-17-3-2-4-19(13-17)25(26,27)28/h2-6,13,15-16H,7-12,14H2,1H3,(H,29,30,32)
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n/an/a 528n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296532
PNG
(CHEMBL561530 | N-(5-(3-fluoro-4-methylbenzyl)thiaz...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1
Show InChI InChI=1S/C21H21FN2O4S/c1-13-3-4-14(10-17(13)22)9-16-12-23-21(29-16)24-20(26)15-5-6-18(27-2)19(11-15)28-8-7-25/h3-6,10-12,25H,7-9H2,1-2H3,(H,23,24,26)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		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 915n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296539
PNG
(4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C19H15F3N2O2S/c1-26-15-7-5-13(6-8-15)17(25)24-18-23-11-16(27-18)10-12-3-2-4-14(9-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,24,25)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296523
PNG
(CHEMBL564689 | N-(5-(3-tert-butylbenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(C)(C)C)s1
Show InChI InChI=1S/C24H28N2O4S/c1-24(2,3)18-7-5-6-16(12-18)13-19-15-25-23(31-19)26-22(28)17-8-9-20(29-4)21(14-17)30-11-10-27/h5-9,12,14-15,27H,10-11,13H2,1-4H3,(H,25,26,28)
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n/an/a 1.31E+3n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296516
PNG
(3-methoxy-4-(2-morpholinoethoxy)-N-(5-(3-(trifluor...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C25H26F3N3O4S/c1-33-22-15-18(5-6-21(22)35-12-9-31-7-10-34-11-8-31)23(32)30-24-29-16-20(36-24)14-17-3-2-4-19(13-17)25(26,27)28/h2-6,13,15-16H,7-12,14H2,1H3,(H,29,30,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296519
PNG
(3-(2-hydroxypropoxy)-4-methoxy-N-(5-(3-(trifluorom...)
Show SMILES COc1ccc(cc1OCC(C)O)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H21F3N2O4S/c1-13(28)12-31-19-10-15(6-7-18(19)30-2)20(29)27-21-26-11-17(32-21)9-14-4-3-5-16(8-14)22(23,24)25/h3-8,10-11,13,28H,9,12H2,1-2H3,(H,26,27,29)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296519
PNG
(3-(2-hydroxypropoxy)-4-methoxy-N-(5-(3-(trifluorom...)
Show SMILES COc1ccc(cc1OCC(C)O)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H21F3N2O4S/c1-13(28)12-31-19-10-15(6-7-18(19)30-2)20(29)27-21-26-11-17(32-21)9-14-4-3-5-16(8-14)22(23,24)25/h3-8,10-11,13,28H,9,12H2,1-2H3,(H,26,27,29)
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n/an/a 2.17E+3n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296514
PNG
(2-(2-methoxy-4-(5-(3-(trifluoromethyl)benzyl)thiaz...)
Show SMILES COc1cc(ccc1OCC(O)=O)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H17F3N2O5S/c1-30-17-9-13(5-6-16(17)31-11-18(27)28)19(29)26-20-25-10-15(32-20)8-12-3-2-4-14(7-12)21(22,23)24/h2-7,9-10H,8,11H2,1H3,(H,27,28)(H,25,26,29)
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n/an/a 4.38E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296536
PNG
(3,4-dimethyl-N-(5-(3-(trifluoromethyl)benzyl)thiaz...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C20H17F3N2OS/c1-12-6-7-15(8-13(12)2)18(26)25-19-24-11-17(27-19)10-14-4-3-5-16(9-14)20(21,22)23/h3-9,11H,10H2,1-2H3,(H,24,25,26)
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n/an/a 8.22E+3n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296515
PNG
(2-(2-methoxy-5-(5-(3-(trifluoromethyl)benzyl)thiaz...)
Show SMILES COc1ccc(cc1OCC(O)=O)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H17F3N2O5S/c1-30-16-6-5-13(9-17(16)31-11-18(27)28)19(29)26-20-25-10-15(32-20)8-12-3-2-4-14(7-12)21(22,23)24/h2-7,9-10H,8,11H2,1H3,(H,27,28)(H,25,26,29)
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n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296518
PNG
(3-(2,3-dihydroxypropoxy)-4-methoxy-N-(5-(3-(triflu...)
Show SMILES COc1ccc(cc1OCC(O)CO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H21F3N2O5S/c1-31-18-6-5-14(9-19(18)32-12-16(29)11-28)20(30)27-21-26-10-17(33-21)8-13-3-2-4-15(7-13)22(23,24)25/h2-7,9-10,16,28-29H,8,11-12H2,1H3,(H,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50296517
PNG
(3-(3-hydroxypropoxy)-4-methoxy-N-(5-(3-(trifluorom...)
Show SMILES COc1ccc(cc1OCCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H21F3N2O4S/c1-30-18-7-6-15(12-19(18)31-9-3-8-28)20(29)27-21-26-13-17(32-21)11-14-4-2-5-16(10-14)22(23,24)25/h2,4-7,10,12-13,28H,3,8-9,11H2,1H3,(H,26,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296520
PNG
(3-(2-hydroxy-2-methylpropoxy)-4-methoxy-N-(5-(3-(t...)
Show SMILES COc1ccc(cc1OCC(C)(C)O)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C23H23F3N2O4S/c1-22(2,30)13-32-19-11-15(7-8-18(19)31-3)20(29)28-21-27-12-17(33-21)10-14-5-4-6-16(9-14)23(24,25)26/h4-9,11-12,30H,10,13H2,1-3H3,(H,27,28,29)
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n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296535
PNG
(CHEMBL558808 | N-(5-(3-(trifluoromethyl)benzyl)thi...)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3ccc4ccccc4c3)s2)c1
Show InChI InChI=1S/C22H15F3N2OS/c23-22(24,25)18-7-3-4-14(10-18)11-19-13-26-21(29-19)27-20(28)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12-13H,11H2,(H,26,27,28)
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n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%