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)) | BDBM60551
(BDBM50448656 | US9102669, 54)Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(cc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C24H22F4N4/c25-19-6-3-17-9-14-32(22(17)15-19)20-10-12-31(13-11-20)23-8-7-21(29-30-23)16-1-4-18(5-2-16)24(26,27)28/h1-8,15,20H,9-14H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 31 | 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)) | BDBM60551
(BDBM50448656 | US9102669, 54)Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(cc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C24H22F4N4/c25-19-6-3-17-9-14-32(22(17)15-19)20-10-12-31(13-11-20)23-8-7-21(29-30-23)16-1-4-18(5-2-16)24(26,27)28/h1-8,15,20H,9-14H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | 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)) | BDBM60551
(BDBM50448656 | US9102669, 54)Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(cc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C24H22F4N4/c25-19-6-3-17-9-14-32(22(17)15-19)20-10-12-31(13-11-20)23-8-7-21(29-30-23)16-1-4-18(5-2-16)24(26,27)28/h1-8,15,20H,9-14H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| 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 |
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)) | BDBM60551
(BDBM50448656 | US9102669, 54)Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(cc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C24H22F4N4/c25-19-6-3-17-9-14-32(22(17)15-19)20-10-12-31(13-11-20)23-8-7-21(29-30-23)16-1-4-18(5-2-16)24(26,27)28/h1-8,15,20H,9-14H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 90 | 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 | |