BDBM50300544 ((4S,5S)-5-((1R,2R)-3-benzamido-2-(benzo[d][1,3]dioxol-5-yl)-1-(methoxymethoxy)propyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate::CHEMBL573149

SMILES: COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1COC(C)=O

InChI Key: InChIKey=FHVJGMXAQMTCSW-MNPDLOSFSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50300544   

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))	BDBM50300544 (((4S,5S)-5-((1R,2R)-3-benzamido-2-(benzo[d][1,3]di...) Show SMILES COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1COC(C)=O |r| Show InChI InChI=1S/C27H33NO9/c1-17(29)32-14-23-25(37-27(2,3)36-23)24(35-15-31-4)20(13-28-26(30)18-8-6-5-7-9-18)19-10-11-21-22(12-19)34-16-33-21/h5-12,20,23-25H,13-16H2,1-4H3,(H,28,30)/t20-,23-,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+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