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PubMed code 24374272

Compile data set for download or QSAR
Found 48 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)
BDBM50445795
PNG
(CHEMBL3104818)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-16-3-2-8-23-11-16)30-20(25-14)27-10-9-26(21(27)29)13-15-4-6-17(22)7-5-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)
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n/an/a 6n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445794
PNG
(CHEMBL3104819)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C23H25N5O2S/c1-17-20(21(29)25-16-19-9-5-11-24-15-19)31-22(26-17)28-14-13-27(23(28)30)12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,25,29)
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n/an/a 8n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445795
PNG
(CHEMBL3104818)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-16-3-2-8-23-11-16)30-20(25-14)27-10-9-26(21(27)29)13-15-4-6-17(22)7-5-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445786
PNG
(CHEMBL3104605)
Show SMILES Cc1nc(sc1C(=O)NCc1ncco1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C19H18FN5O3S/c1-12-16(17(26)22-10-15-21-6-9-28-15)29-18(23-12)25-8-7-24(19(25)27)11-13-2-4-14(20)5-3-13/h2-6,9H,7-8,10-11H2,1H3,(H,22,26)
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n/an/a 11n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445788
PNG
(CHEMBL3104825)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-17-4-2-3-9-23-17)30-20(25-14)27-11-10-26(21(27)29)13-15-5-7-16(22)8-6-15/h2-9H,10-13H2,1H3,(H,24,28)
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n/an/a 13n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445785
PNG
(CHEMBL3104606)
Show SMILES Cc1nc(sc1C(N)=O)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C15H15FN4O2S/c1-9-12(13(17)21)23-14(18-9)20-7-6-19(15(20)22)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H2,17,21)
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n/an/a 15n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445794
PNG
(CHEMBL3104819)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C23H25N5O2S/c1-17-20(21(29)25-16-19-9-5-11-24-15-19)31-22(26-17)28-14-13-27(23(28)30)12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,25,29)
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n/an/a 16n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445778
PNG
(CHEMBL3104812)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1nnc(Cc2ccccc2)[nH]1
Show InChI InChI=1S/C21H19N5OS/c1-14-18(20(27)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(25-26-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,27)(H,24,25,26)
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n/an/a 27n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445783
PNG
(CHEMBL3104608)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H22N4O2S/c1-16-19(20(27)23-14-17-8-4-2-5-9-17)29-21(24-16)26-13-12-25(22(26)28)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,27)
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n/an/a 28n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445780
PNG
(CHEMBL3104613)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C21H19N5OS/c1-15-19(20(27)22-12-16-8-4-2-5-9-16)28-21(23-15)18-14-26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445788
PNG
(CHEMBL3104825)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-17-4-2-3-9-23-17)30-20(25-14)27-11-10-26(21(27)29)13-15-5-7-16(22)8-6-15/h2-9H,10-13H2,1H3,(H,24,28)
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n/an/a 40n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445793
PNG
(CHEMBL3104820)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CC2CCCCC2)C1=O
Show InChI InChI=1S/C21H27N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h5,8-9,12,16H,2-4,6-7,10-11,13-14H2,1H3,(H,23,27)
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n/an/a 45n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445796
PNG
(CHEMBL3104817)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,23,27)
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n/an/a 45n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445790
PNG
(CHEMBL3104823)
Show SMILES CCCCN1CCN(C1=O)c1nc(C)c(s1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C18H23N5O2S/c1-3-4-8-22-9-10-23(18(22)25)17-21-13(2)15(26-17)16(24)20-12-14-6-5-7-19-11-14/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,20,24)
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n/an/a 46n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445791
PNG
(CHEMBL3104822)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CC2CC2)C1=O
Show InChI InChI=1S/C18H21N5O2S/c1-12-15(16(24)20-10-14-3-2-6-19-9-14)26-17(21-12)23-8-7-22(18(23)25)11-13-4-5-13/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,20,24)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445783
PNG
(CHEMBL3104608)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H22N4O2S/c1-16-19(20(27)23-14-17-8-4-2-5-9-17)29-21(24-16)26-13-12-25(22(26)28)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,27)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445779
PNG
(CHEMBL3104614)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C21H19N5OS/c1-15-19(20(27)22-13-17-10-6-3-7-11-17)28-21(23-15)26-14-18(24-25-26)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,22,27)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445785
PNG
(CHEMBL3104606)
Show SMILES Cc1nc(sc1C(N)=O)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C15H15FN4O2S/c1-9-12(13(17)21)23-14(18-9)20-7-6-19(15(20)22)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H2,17,21)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445776
PNG
(CHEMBL3102878)
Show SMILES Cc1nc(sc1C(=O)NCc1cccc(F)c1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-17-8-5-9-18(23)12-17)30-21(25-15)27-11-10-26(22(27)29)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,24,28)
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n/an/a 63n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445791
PNG
(CHEMBL3104822)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CC2CC2)C1=O
Show InChI InChI=1S/C18H21N5O2S/c1-12-15(16(24)20-10-14-3-2-6-19-9-14)26-17(21-12)23-8-7-22(18(23)25)11-13-4-5-13/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,20,24)
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n/an/a 63n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445781
PNG
(CHEMBL3104612)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1noc(Cc2ccccc2)n1
Show InChI InChI=1S/C21H18N4O2S/c1-14-18(20(26)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(27-25-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,26)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445789
PNG
(CHEMBL3104824)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-17-9-5-6-10-22-17)29-20(24-15)26-12-11-25(21(26)28)14-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,27)
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n/an/a 87n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445798
PNG
(CHEMBL3104815)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(F)cc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-16-7-9-18(23)10-8-16)30-21(25-15)27-12-11-26(22(27)29)14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,24,28)
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n/an/a 91n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445786
PNG
(CHEMBL3104605)
Show SMILES Cc1nc(sc1C(=O)NCc1ncco1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C19H18FN5O3S/c1-12-16(17(26)22-10-15-21-6-9-28-15)29-18(23-12)25-8-7-24(19(25)27)11-13-2-4-14(20)5-3-13/h2-6,9H,7-8,10-11H2,1H3,(H,22,26)
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n/an/a 95n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445793
PNG
(CHEMBL3104820)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CC2CCCCC2)C1=O
Show InChI InChI=1S/C21H27N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h5,8-9,12,16H,2-4,6-7,10-11,13-14H2,1H3,(H,23,27)
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n/an/a 135n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445797
PNG
(CHEMBL3104816)
Show SMILES Cc1nc(sc1C(=O)NCc1ccncc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-16-7-9-22-10-8-16)29-20(24-15)26-12-11-25(21(26)28)14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,23,27)
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n/an/a 145n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445782
PNG
(CHEMBL3104609)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)N1C[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C22H22N4O2S/c1-15-19(20(27)23-13-17-10-6-3-7-11-17)29-22(24-15)26-14-18(25-21(26)28)12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1
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n/an/a 154n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445789
PNG
(CHEMBL3104824)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-17-9-5-6-10-22-17)29-20(24-15)26-12-11-25(21(26)28)14-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,27)
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n/an/a 158n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445798
PNG
(CHEMBL3104815)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(F)cc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-16-7-9-18(23)10-8-16)30-21(25-15)27-12-11-26(22(27)29)14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,24,28)
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n/an/a 194n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445777
PNG
(CHEMBL3104814)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cncc(Cc2ccccc2)n1
Show InChI InChI=1S/C23H20N4OS/c1-16-21(22(28)25-13-18-10-6-3-7-11-18)29-23(26-16)20-15-24-14-19(27-20)12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445776
PNG
(CHEMBL3102878)
Show SMILES Cc1nc(sc1C(=O)NCc1cccc(F)c1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-17-8-5-9-18(23)12-17)30-21(25-15)27-11-10-26(22(27)29)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,24,28)
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n/an/a 219n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445778
PNG
(CHEMBL3104812)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1nnc(Cc2ccccc2)[nH]1
Show InChI InChI=1S/C21H19N5OS/c1-14-18(20(27)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(25-26-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,27)(H,24,25,26)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445784
PNG
(CHEMBL3104607)
Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445796
PNG
(CHEMBL3104817)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,23,27)
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n/an/a 524n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445800
PNG
(CHEMBL3104611)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cc(Cc2ccccc2)no1
Show InChI InChI=1S/C22H19N3O2S/c1-15-20(21(26)23-14-17-10-6-3-7-11-17)28-22(24-15)19-13-18(25-27-19)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,23,26)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445777
PNG
(CHEMBL3104814)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cncc(Cc2ccccc2)n1
Show InChI InChI=1S/C23H20N4OS/c1-16-21(22(28)25-13-18-10-6-3-7-11-18)29-23(26-16)20-15-24-14-19(27-20)12-17-8-4-2-5-9-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445797
PNG
(CHEMBL3104816)
Show SMILES Cc1nc(sc1C(=O)NCc1ccncc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-16-7-9-22-10-8-16)29-20(24-15)26-12-11-25(21(26)28)14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,23,27)
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n/an/a 656n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445779
PNG
(CHEMBL3104614)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C21H19N5OS/c1-15-19(20(27)22-13-17-10-6-3-7-11-17)28-21(23-15)26-14-18(24-25-26)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,22,27)
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Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445790
PNG
(CHEMBL3104823)
Show SMILES CCCCN1CCN(C1=O)c1nc(C)c(s1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C18H23N5O2S/c1-3-4-8-22-9-10-23(18(22)25)17-21-13(2)15(26-17)16(24)20-12-14-6-5-7-19-11-14/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,20,24)
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n/an/a 748n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445792
PNG
(CHEMBL3104821)
Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(C2CCCCO2)C1=O
Show InChI InChI=1S/C19H23N5O3S/c1-13-16(17(25)21-12-14-5-4-7-20-11-14)28-18(22-13)24-9-8-23(19(24)26)15-6-2-3-10-27-15/h4-5,7,11,15H,2-3,6,8-10,12H2,1H3,(H,21,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445799
PNG
(CHEMBL3104813)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C22H20N4OS/c1-16-20(21(27)23-12-17-8-4-2-5-9-17)28-22(25-16)19-13-24-26(15-19)14-18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H,23,27)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445781
PNG
(CHEMBL3104612)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1noc(Cc2ccccc2)n1
Show InChI InChI=1S/C21H18N4O2S/c1-14-18(20(26)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(27-25-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,26)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445782
PNG
(CHEMBL3104609)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)N1C[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C22H22N4O2S/c1-15-19(20(27)23-13-17-10-6-3-7-11-17)29-22(24-15)26-14-18(25-21(26)28)12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445784
PNG
(CHEMBL3104607)
Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H19N3O2S/c1-14-18(19(25)21-13-16-10-6-3-7-11-16)26-20(22-14)23-17(24)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,21,25)(H,22,23,24)
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n/an/a 2.68E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445742
PNG
(CHEMBL3104387)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O2S/c1-12-15(17(23)20-14-10-6-3-7-11-14)24-18(19-12)21-16(22)13-8-4-2-5-9-13/h2-11H,1H3,(H,20,23)(H,19,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445787
PNG
(CHEMBL3104826)
Show SMILES Cc1nc(sc1C(=O)NCCc1ccccn1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H22FN5O2S/c1-15-19(20(29)25-11-9-18-4-2-3-10-24-18)31-21(26-15)28-13-12-27(22(28)30)14-16-5-7-17(23)8-6-16/h2-8,10H,9,11-14H2,1H3,(H,25,29)
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n/an/a 3.47E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50445780
PNG
(CHEMBL3104613)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C21H19N5OS/c1-15-19(20(27)22-12-16-8-4-2-5-9-16)28-21(23-15)18-14-26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)
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n/an/a 9.98E+3n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50445801
PNG
(CHEMBL3104610)
Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cnc(Cc2ccccc2)o1
Show InChI InChI=1S/C22H19N3O2S/c1-15-20(21(26)24-13-17-10-6-3-7-11-17)28-22(25-15)18-14-23-19(27-18)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse liver microsomes


Bioorg Med Chem Lett 24: 520-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.036
BindingDB Entry DOI: 10.7270/Q2QJ7JRS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%