BDBM50257967 CHEMBL494748::N-(2-(7-(4-chloro-3-(trifluoromethyl)benzylamino)-3-(4-methoxyphenyl)-2-oxoquinoxalin-1(2H)-yl)ethyl)acetamide
SMILES: COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O
InChI Key: InChIKey=KDRGWBDOBCLUSE-UHFFFAOYSA-N
Data: 5 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 (Homo sapiens (Human)) | BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibition of Delta9-desaturase in human HepG2 cells | Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA (8-3)-desaturase (Rattus norvegicus) | BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibition of rat microsomal Delta5-desaturase | Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase (Homo sapiens (Human)) | BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. Curated by ChEMBL | Assay Description Inhibition of stearoyl-CoA delta9 desaturase in human HepG2 cells | Bioorg Med Chem Lett 19: 4070-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.017 BindingDB Entry DOI: 10.7270/Q2959HN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat)) | BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. Curated by ChEMBL | Assay Description Inhibition of stearoyl-CoA delta9 desaturase in rat microsome | Bioorg Med Chem Lett 19: 4070-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.017 BindingDB Entry DOI: 10.7270/Q2959HN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA 6-desaturase (Rattus norvegicus) | BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibition of rat microsomal Delta6-desaturase | Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S | |||||||||||
More data for this Ligand-Target Pair |