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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50300541   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50300541
PNG
(CHEMBL583953 | tert-butyl(2R,3R)-2-(benzo[d][1,3]d...)
Show SMILES COCO[C@H]([C@@H](CNC(=O)OC(C)(C)C)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C |r|
Show InChI InChI=1S/C29H49NO9Si/c1-27(2,3)39-26(31)30-15-20(19-12-13-21-22(14-19)34-18-33-21)24(35-17-32-9)25-23(37-29(7,8)38-25)16-36-40(10,11)28(4,5)6/h12-14,20,23-25H,15-18H2,1-11H3,(H,30,31)/t20-,23-,24+,25+/m0/s1
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Article
PubMed
 320n/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