Found 3 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)) | BDBM50364016
(CHEMBL1950404)Show SMILES OC(=O)c1cncc(c1)-c1cnc(cn1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C21H18BrFN4O3/c22-17-2-1-15(23)8-19(17)30-16-3-5-27(6-4-16)20-12-25-18(11-26-20)13-7-14(21(28)29)10-24-9-13/h1-2,7-12,16H,3-6H2,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 69 | 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 rat SCD1 |
Bioorg Med Chem Lett 21: 7281-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ |
More data for this Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50364016
(CHEMBL1950404)Show SMILES OC(=O)c1cncc(c1)-c1cnc(cn1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C21H18BrFN4O3/c22-17-2-1-15(23)8-19(17)30-16-3-5-27(6-4-16)20-12-25-18(11-26-20)13-7-14(21(28)29)10-24-9-13/h1-2,7-12,16H,3-6H2,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.36E+3 | 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 Sprague-Dawley rat hepatocytes assessed as conversion of [14C]oleic acid formation by HPLC analysis |
Bioorg Med Chem Lett 21: 7281-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ |
More data for this Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50364016
(CHEMBL1950404)Show SMILES OC(=O)c1cncc(c1)-c1cnc(cn1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C21H18BrFN4O3/c22-17-2-1-15(23)8-19(17)30-16-3-5-27(6-4-16)20-12-25-18(11-26-20)13-7-14(21(28)29)10-24-9-13/h1-2,7-12,16H,3-6H2,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 6.72E+3 | 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 human SCD1 expressed in human HepG2 cells assessed as conversion of [14C]stearic acid to [14C]oleic acid |
Bioorg Med Chem Lett 21: 7281-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ |
More data for this Ligand-Target Pair | |