null
SMILES: CC(=O)N1[C@@H](CC[C@@H]1c1ccccc1)C(=O)Nc1ncc(s1)-c1ccc(N)cc1
InChI Key: InChIKey=CJQUPESWNTXRJX-MOPGFXCFSA-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)) | BDBM50005006 (CHEMBL2397307) | 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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX | |||||||||||
More data for this Ligand-Target Pair |