Found 5 hits in this display 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 |
|---|
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50304942
((S)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...)Show SMILES O[C@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af... |
J Med Chem 56: 568-83 (2013)
Article DOI: 10.1021/jm301661h
BindingDB Entry DOI: 10.7270/Q25Q4XDG |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50304942
((S)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...)Show SMILES O[C@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | 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 [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs |
J Med Chem 56: 568-83 (2013)
Article DOI: 10.1021/jm301661h
BindingDB Entry DOI: 10.7270/Q25Q4XDG |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50304942
((S)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...)Show SMILES O[C@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins |
Bioorg Med Chem Lett 20: 341-5 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.101
BindingDB Entry DOI: 10.7270/Q23X86R7 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50304942
((S)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...)Show SMILES O[C@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ... |
Bioorg Med Chem Lett 20: 341-5 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.101
BindingDB Entry DOI: 10.7270/Q23X86R7 |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50304942
((S)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...)Show SMILES O[C@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h... |
Bioorg Med Chem Lett 20: 341-5 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.101
BindingDB Entry DOI: 10.7270/Q23X86R7 |
More data for this
Ligand-Target Pair | |