BDBM50300540 CHEMBL577811::N-((2R,3R)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(methoxymethoxy)propyl)benzamide
SMILES: COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO
InChI Key: InChIKey=CLZGVQMOEWULAZ-XSEFMFLKSA-N
Data: 1 KI
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)) | BDBM50300540 (CHEMBL577811 | N-((2R,3R)-2-(benzo[d][1,3]dioxol-5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline to 7-hydroxyquinoline measured every 15 mins by fluoresc... | Bioorg Med Chem Lett 19: 5607-12 (2009) Article DOI: 10.1016/j.bmcl.2009.08.032 BindingDB Entry DOI: 10.7270/Q2CF9Q4D | |||||||||||
More data for this Ligand-Target Pair |