BDBM50301062 CHEMBL572098::N-(2-cyclopropylethyl)-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
SMILES: FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
InChI Key: InChIKey=OCXBYYNZEUUCEO-UHFFFAOYSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat)) | BDBM50301062 (CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 300 | 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 rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA | Bioorg Med Chem Lett 19: 5214-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.015 BindingDB Entry DOI: 10.7270/Q2V9884M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA desaturase 1 (Mus musculus) | BDBM50301062 (CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 25 | 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 1 (Homo sapiens (Human)) | BDBM50301062 (CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 39 | 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 | |||||||||||||
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat)) | BDBM50301062 (CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 322 | 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 rat liver microsomes | Bioorg Med Chem Lett 20: 499-502 (2010) Article DOI: 10.1016/j.bmcl.2009.11.111 BindingDB Entry DOI: 10.7270/Q26H4HH3 | |||||||||||
More data for this Ligand-Target Pair |