Found 6 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)) | BDBM50448675
(CHEMBL3127666 | US9102669, 11)Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 16 | 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50448675
(CHEMBL3127666 | US9102669, 11)Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 19 | 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50448675
(CHEMBL3127666 | US9102669, 11)Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 21 | 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)) | BDBM50448675
(CHEMBL3127666 | US9102669, 11)Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | 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)) | BDBM50448675
(CHEMBL3127666 | US9102669, 11)Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 91 | 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50448675
(CHEMBL3127666 | US9102669, 11)Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 173 | 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 | |