Found 47 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445731
(CHEMBL3104392)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCCC2CC2)cc1=O Show InChI InChI=1S/C22H23N3O3S/c1-15-20(21(27)23-14-17-5-3-2-4-6-17)29-22(24-15)25-11-9-18(13-19(25)26)28-12-10-16-7-8-16/h2-6,9,11,13,16H,7-8,10,12,14H2,1H3,(H,23,27) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445732
(CHEMBL3104401)Show InChI InChI=1S/C17H15N3O3S/c1-11-15(16(23)18-10-12-5-3-2-4-6-12)24-17(19-11)20-8-7-13(21)9-14(20)22/h2-9,21H,10H2,1H3,(H,18,23) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445734
(CHEMBL3104405)Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-2-4-12(18)5-3-11)25-17(20-10)21-7-6-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445728
(CHEMBL3104407)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(F)c(F)c1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H13F2N3O3S/c1-9-15(16(25)20-8-10-2-3-12(18)13(19)6-10)26-17(21-9)22-5-4-11(23)7-14(22)24/h2-7,23H,8H2,1H3,(H,20,25) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445726
(CHEMBL3104390)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(CCc2ccccc2)cc1=O Show InChI InChI=1S/C25H23N3O2S/c1-18-23(24(30)26-17-21-10-6-3-7-11-21)31-25(27-18)28-15-14-20(16-22(28)29)13-12-19-8-4-2-5-9-19/h2-11,14-16H,12-13,17H2,1H3,(H,26,30) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445738
(CHEMBL3104406)Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-3-2-4-12(18)7-11)25-17(20-10)21-6-5-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445725
(CHEMBL3104394)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2cscn2)cc1=O Show InChI InChI=1S/C21H18N4O3S2/c1-14-19(20(27)22-10-15-5-3-2-4-6-15)30-21(24-14)25-8-7-17(9-18(25)26)28-11-16-12-29-13-23-16/h2-9,12-13H,10-11H2,1H3,(H,22,27) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445737
(CHEMBL3104395)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c1-11-15(16(26)22-10-12-5-3-2-4-6-12)27-17(23-11)24-8-7-13(9-14(24)25)18(19,20)21/h2-9H,10H2,1H3,(H,22,26) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445736
(CHEMBL3104389)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C24H21N3O3S/c1-17-22(23(29)25-15-18-8-4-2-5-9-18)31-24(26-17)27-13-12-20(14-21(27)28)30-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,29) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445736
(CHEMBL3104389)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C24H21N3O3S/c1-17-22(23(29)25-15-18-8-4-2-5-9-18)31-24(26-17)27-13-12-20(14-21(27)28)30-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,29) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445735
(CHEMBL3104393)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCC2CCCO2)cc1=O Show InChI InChI=1S/C22H23N3O4S/c1-15-20(21(27)23-13-16-6-3-2-4-7-16)30-22(24-15)25-10-9-17(12-19(25)26)29-14-18-8-5-11-28-18/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,23,27) | PDB
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| Article
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445734
(CHEMBL3104405)Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-2-4-12(18)5-3-11)25-17(20-10)21-7-6-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24) | PDB
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PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445733
(CHEMBL3104396)Show InChI InChI=1S/C18H17N3O2S/c1-12-8-9-21(15(22)10-12)18-20-13(2)16(24-18)17(23)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,23) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445732
(CHEMBL3104401)Show InChI InChI=1S/C17H15N3O3S/c1-11-15(16(23)18-10-12-5-3-2-4-6-12)24-17(19-11)20-8-7-13(21)9-14(20)22/h2-9,21H,10H2,1H3,(H,18,23) | PDB
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445730
(CHEMBL3104397)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)C1CC1 Show InChI InChI=1S/C20H19N3O2S/c1-13-18(19(25)21-12-14-5-3-2-4-6-14)26-20(22-13)23-10-9-16(11-17(23)24)15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3,(H,21,25) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445731
(CHEMBL3104392)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCCC2CC2)cc1=O Show InChI InChI=1S/C22H23N3O3S/c1-15-20(21(27)23-14-17-5-3-2-4-6-17)29-22(24-15)25-11-9-18(13-19(25)26)28-12-10-16-7-8-16/h2-6,9,11,13,16H,7-8,10,12,14H2,1H3,(H,23,27) | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445729
(CHEMBL3104408)Show SMILES Cc1nc(sc1C(=O)NCCc1ccc(F)cc1)-n1ccc(O)cc1=O Show InChI InChI=1S/C18H16FN3O3S/c1-11-16(17(25)20-8-6-12-2-4-13(19)5-3-12)26-18(21-11)22-9-7-14(23)10-15(22)24/h2-5,7,9-10,23H,6,8H2,1H3,(H,20,25) | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445728
(CHEMBL3104407)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(F)c(F)c1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H13F2N3O3S/c1-9-15(16(25)20-8-10-2-3-12(18)13(19)6-10)26-17(21-9)22-5-4-11(23)7-14(22)24/h2-7,23H,8H2,1H3,(H,20,25) | PDB
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PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445727
(CHEMBL3104413)Show InChI InChI=1S/C14H15N3O3S/c1-8-12(13(20)15-7-9-2-3-9)21-14(16-8)17-5-4-10(18)6-11(17)19/h4-6,9,18H,2-3,7H2,1H3,(H,15,20) | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445726
(CHEMBL3104390)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(CCc2ccccc2)cc1=O Show InChI InChI=1S/C25H23N3O2S/c1-18-23(24(30)26-17-21-10-6-3-7-11-21)31-25(27-18)28-15-14-20(16-22(28)29)13-12-19-8-4-2-5-9-19/h2-11,14-16H,12-13,17H2,1H3,(H,26,30) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445725
(CHEMBL3104394)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2cscn2)cc1=O Show InChI InChI=1S/C21H18N4O3S2/c1-14-19(20(27)22-10-15-5-3-2-4-6-15)30-21(24-14)25-8-7-17(9-18(25)26)28-11-16-12-29-13-23-16/h2-9,12-13H,10-11H2,1H3,(H,22,27) | PDB
KEGG
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AffyNet
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Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445724
(CHEMBL3104391)Show SMILES COc1ccn(-c2nc(C)c(s2)C(=O)NCc2ccccc2)c(=O)c1 Show InChI InChI=1S/C18H17N3O3S/c1-12-16(17(23)19-11-13-6-4-3-5-7-13)25-18(20-12)21-9-8-14(24-2)10-15(21)22/h3-10H,11H2,1-2H3,(H,19,23) | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445723
(CHEMBL3104398)Show InChI InChI=1S/C17H15N3O2S/c1-12-15(16(22)18-11-13-7-3-2-4-8-13)23-17(19-12)20-10-6-5-9-14(20)21/h2-10H,11H2,1H3,(H,18,22) | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445722
(CHEMBL3104414)Show InChI InChI=1S/C15H17N3O3S/c1-9-13(14(21)16-6-4-10-2-3-10)22-15(17-9)18-7-5-11(19)8-12(18)20/h5,7-8,10,19H,2-4,6H2,1H3,(H,16,21) | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445724
(CHEMBL3104391)Show SMILES COc1ccn(-c2nc(C)c(s2)C(=O)NCc2ccccc2)c(=O)c1 Show InChI InChI=1S/C18H17N3O3S/c1-12-16(17(23)19-11-13-6-4-3-5-7-13)25-18(20-12)21-9-8-14(24-2)10-15(21)22/h3-10H,11H2,1-2H3,(H,19,23) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445739
(CHEMBL3104410)Show InChI InChI=1S/C16H14N4O3S/c1-10-14(15(23)18-9-11-2-5-17-6-3-11)24-16(19-10)20-7-4-12(21)8-13(20)22/h2-8,21H,9H2,1H3,(H,18,23) | PDB
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| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445729
(CHEMBL3104408)Show SMILES Cc1nc(sc1C(=O)NCCc1ccc(F)cc1)-n1ccc(O)cc1=O Show InChI InChI=1S/C18H16FN3O3S/c1-11-16(17(25)20-8-6-12-2-4-13(19)5-3-12)26-18(21-11)22-9-7-14(23)10-15(22)24/h2-5,7,9-10,23H,6,8H2,1H3,(H,20,25) | PDB
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| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445738
(CHEMBL3104406)Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-3-2-4-12(18)7-11)25-17(20-10)21-6-5-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24) | PDB
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| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445743
(CHEMBL3104388)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2S/c1-16-21(22(28)24-15-17-8-4-2-5-9-17)29-23(25-16)26-13-12-19(14-20(26)27)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,24,28) | PDB
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| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445749
(CHEMBL3104402)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(NCc2ccccc2)cc1=O Show InChI InChI=1S/C24H22N4O2S/c1-17-22(23(30)26-16-19-10-6-3-7-11-19)31-24(27-17)28-13-12-20(14-21(28)29)25-15-18-8-4-2-5-9-18/h2-14,25H,15-16H2,1H3,(H,26,30) | PDB
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445733
(CHEMBL3104396)Show InChI InChI=1S/C18H17N3O2S/c1-12-8-9-21(15(22)10-12)18-20-13(2)16(24-18)17(23)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,23) | PDB
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| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445748
(CHEMBL3104409)Show InChI InChI=1S/C16H14N4O3S/c1-10-14(15(23)18-9-11-3-2-5-17-8-11)24-16(19-10)20-6-4-12(21)7-13(20)22/h2-8,21H,9H2,1H3,(H,18,23) | PDB
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| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445735
(CHEMBL3104393)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCC2CCCO2)cc1=O Show InChI InChI=1S/C22H23N3O4S/c1-15-20(21(27)23-13-16-6-3-2-4-7-16)30-22(24-15)25-10-9-17(12-19(25)26)29-14-18-8-5-11-28-18/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,23,27) | PDB
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| n/a | n/a | 329 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445747
(CHEMBL3104411)Show InChI InChI=1S/C16H15N5O3S/c1-9-6-18-11(7-17-9)8-19-15(24)14-10(2)20-16(25-14)21-4-3-12(22)5-13(21)23/h3-7,22H,8H2,1-2H3,(H,19,24) | PDB
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| n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445746
(CHEMBL3104404)Show InChI InChI=1S/C17H16N4O2S/c1-11-15(16(23)19-10-12-5-3-2-4-6-12)24-17(20-11)21-8-7-13(18)9-14(21)22/h2-9H,10,18H2,1H3,(H,19,23) | PDB
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| n/a | n/a | 387 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445745
(CHEMBL3104412)Show InChI InChI=1S/C14H12N4O4S/c1-8-12(13(21)16-7-10-15-3-5-22-10)23-14(17-8)18-4-2-9(19)6-11(18)20/h2-6,19H,7H2,1H3,(H,16,21) | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445730
(CHEMBL3104397)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)C1CC1 Show InChI InChI=1S/C20H19N3O2S/c1-13-18(19(25)21-12-14-5-3-2-4-6-14)26-20(22-13)23-10-9-16(11-17(23)24)15-7-8-15/h2-6,9-11,15H,7-8,12H2,1H3,(H,21,25) | PDB
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| n/a | n/a | 458 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445722
(CHEMBL3104414)Show InChI InChI=1S/C15H17N3O3S/c1-9-13(14(21)16-6-4-10-2-3-10)22-15(17-9)18-7-5-11(19)8-12(18)20/h5,7-8,10,19H,2-4,6H2,1H3,(H,16,21) | PDB
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| n/a | n/a | 783 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445739
(CHEMBL3104410)Show InChI InChI=1S/C16H14N4O3S/c1-10-14(15(23)18-9-11-2-5-17-6-3-11)24-16(19-10)20-7-4-12(21)8-13(20)22/h2-8,21H,9H2,1H3,(H,18,23) | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445744
(CHEMBL3104399)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2ccccn2)cc1=O Show InChI InChI=1S/C23H20N4O3S/c1-16-21(22(29)25-14-17-7-3-2-4-8-17)31-23(26-16)27-12-10-19(13-20(27)28)30-15-18-9-5-6-11-24-18/h2-13H,14-15H2,1H3,(H,25,29) | PDB
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| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445737
(CHEMBL3104395)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c1-11-15(16(26)22-10-12-5-3-2-4-6-12)27-17(23-11)24-8-7-13(9-14(24)25)18(19,20)21/h2-9H,10H2,1H3,(H,22,26) | PDB
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| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445727
(CHEMBL3104413)Show InChI InChI=1S/C14H15N3O3S/c1-8-12(13(20)15-7-9-2-3-9)21-14(16-8)17-5-4-10(18)6-11(17)19/h4-6,9,18H,2-3,7H2,1H3,(H,15,20) | PDB
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| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445723
(CHEMBL3104398)Show InChI InChI=1S/C17H15N3O2S/c1-12-15(16(22)18-11-13-7-3-2-4-8-13)23-17(19-12)20-10-6-5-9-14(20)21/h2-10H,11H2,1H3,(H,18,22) | PDB
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| n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50445743
(CHEMBL3104388)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2S/c1-16-21(22(28)24-15-17-8-4-2-5-9-17)29-23(25-16)26-13-12-19(14-20(26)27)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445742
(CHEMBL3104387)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) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445741
(CHEMBL3104400)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2cccnc2)cc1=O Show InChI InChI=1S/C23H20N4O3S/c1-16-21(22(29)25-14-17-6-3-2-4-7-17)31-23(26-16)27-11-9-19(12-20(27)28)30-15-18-8-5-10-24-13-18/h2-13H,14-15H2,1H3,(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50445740
(CHEMBL3104403)Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(NC(=O)c2ccccc2)cc1=O Show InChI InChI=1S/C24H20N4O3S/c1-16-21(23(31)25-15-17-8-4-2-5-9-17)32-24(26-16)28-13-12-19(14-20(28)29)27-22(30)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,25,31)(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in mouse liver microsomes |
Bioorg Med Chem Lett 24: 526-31 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.035
BindingDB Entry DOI: 10.7270/Q20003J1 |
More data for this
Ligand-Target Pair | |
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