null
SMILES: O=C(NC(CN(CC(Cc1ccccc1)NC(=O)OCc1cncs1)CC(Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1
InChI Key: InChIKey=YKGANGZPZGMFOH-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50310751 (CHEMBL1079228 | Tris-N-[2-(thiazol-5-ylmethoxycarb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline | Bioorg Med Chem Lett 19: 5444-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.118 BindingDB Entry DOI: 10.7270/Q21R6QN0 | |||||||||||
More data for this Ligand-Target Pair |