BDBM50257758 3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)propanamide::CHEMBL521993
SMILES: COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O
InChI Key: InChIKey=XWKNIHACUXAXDU-UHFFFAOYSA-N
Data: 3 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 (Homo sapiens (Human)) | BDBM50257758![]() (3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.80 | 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 | |||||||||||||
Fatty acid desaturase 2 (Rattus norvegicus) | BDBM50257758![]() (3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...) | 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 | |||||||||||||
Fatty acid desaturase 1 (Rattus norvegicus) | BDBM50257758![]() (3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...) | 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 |