BDBM50300538 CHEMBL574914::N-((2R,3R)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)-5-((tert-butyldimethylsilyloxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropyl)benzamide

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

InChI Key: InChIKey=HZWJSPQRTMLPAY-DTGGKOQTSA-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 = 50300538   

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))	BDBM50300538 (CHEMBL574914 | N-((2R,3R)-2-(benzo[d][1,3]dioxol-5...) Show SMILES CC(C)(C)[Si](C)(C)OC[C@@H]1OC(C)(C)O[C@H]1[C@H](O)[C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H41NO7Si/c1-28(2,3)38(6,7)35-17-24-26(37-29(4,5)36-24)25(31)21(16-30-27(32)19-11-9-8-10-12-19)20-13-14-22-23(15-20)34-18-33-22/h8-15,21,24-26,31H,16-18H2,1-7H3,(H,30,32)/t21-,24-,25+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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