Found 4 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) | BDBM50301062
(CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-4-2-1-3-16(17)21(32)30-13-11-29(12-14-30)19-8-7-18(27-28-19)20(31)26-10-9-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,26,31) | 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)) | BDBM50301062
(CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-4-2-1-3-16(17)21(32)30-13-11-29(12-14-30)19-8-7-18(27-28-19)20(31)26-10-9-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,26,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | 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
(Rattus norvegicus (Rat)) | BDBM50301062
(CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-4-2-1-3-16(17)21(32)30-13-11-29(12-14-30)19-8-7-18(27-28-19)20(31)26-10-9-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA |
Bioorg Med Chem Lett 19: 5214-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.015
BindingDB Entry DOI: 10.7270/Q2V9884M |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50301062
(CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-4-2-1-3-16(17)21(32)30-13-11-29(12-14-30)19-8-7-18(27-28-19)20(31)26-10-9-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in rat liver microsomes |
Bioorg Med Chem Lett 20: 499-502 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3 |
More data for this
Ligand-Target Pair | |