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
(Rattus norvegicus (Rat)) | BDBM50448662
(CHEMBL3127651 | US9102669, 22)Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | 25 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e... |
US Patent US9102669 (2015)
BindingDB Entry DOI: 10.7270/Q2BC3X9V |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50448662
(CHEMBL3127651 | US9102669, 22)Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis |
Bioorg Med Chem Lett 24: 1437-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.075
BindingDB Entry DOI: 10.7270/Q26M38BM |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50448662
(CHEMBL3127651 | US9102669, 22)Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate |
Bioorg Med Chem Lett 24: 1437-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.075
BindingDB Entry DOI: 10.7270/Q26M38BM |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50448662
(CHEMBL3127651 | US9102669, 22)Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | 25 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e... |
US Patent US9102669 (2015)
BindingDB Entry DOI: 10.7270/Q2BC3X9V |
More data for this
Ligand-Target Pair | |