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) | BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H24F3N5O2/c26-25(27,28)20-9-5-4-8-19(20)24(35)33-16-14-32(15-17-33)22-11-10-21(30-31-22)23(34)29-13-12-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | 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)) | BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H24F3N5O2/c26-25(27,28)20-9-5-4-8-19(20)24(35)33-16-14-32(15-17-33)22-11-10-21(30-31-22)23(34)29-13-12-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | 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 | |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H24F3N5O2/c26-25(27,28)20-9-5-4-8-19(20)24(35)33-16-14-32(15-17-33)22-11-10-21(30-31-22)23(34)29-13-12-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | 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)) | BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H24F3N5O2/c26-25(27,28)20-9-5-4-8-19(20)24(35)33-16-14-32(15-17-33)22-11-10-21(30-31-22)23(34)29-13-12-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | 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 | |
dCTP pyrophosphatase 1
(Homo sapiens (Human)) | BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H24F3N5O2/c26-25(27,28)20-9-5-4-8-19(20)24(35)33-16-14-32(15-17-33)22-11-10-21(30-31-22)23(34)29-13-12-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,29,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ... |
J Med Chem 60: 4279-4292 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5 |
More data for this Ligand-Target Pair | |