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BDBM50300539 CHEMBL573430::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-(methoxymethoxy)propyl)benzamide::[(2R,3R,4S,5S)-2-(3',4'-Methylenedioxy)phenyl-3-methoxymethyleneoxy-4,5-isopropylidene-dioxy-6-tert-butyldimethylsilyloxy]hexylbenzamide

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

InChI Key: InChIKey=PSRRUEPWXFJQOG-DXXRHUJXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50300539   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50300539
PNG
(CHEMBL573430 | N-((2R,3R)-2-(benzo[d][1,3]dioxol-5...)
Show SMILES COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C |r|
Show InChI InChI=1S/C31H45NO8Si/c1-30(2,3)41(7,8)38-18-26-28(40-31(4,5)39-26)27(37-19-34-6)23(17-32-29(33)21-12-10-9-11-13-21)22-14-15-24-25(16-22)36-20-35-24/h9-16,23,26-28H,17-20H2,1-8H3,(H,32,33)/t23-,26-,27+,28+/m0/s1
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MMDB

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Similars
Article
PubMed
 30n/an/an/an/an/an/an/an/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