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PubMed code 18583127

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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))
BDBM50251615
PNG
(1-(4-(4-(((2R,4S)-2-(2,4-difluorophenyl)-2-methyl-...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](C)(O2)c2ccc(F)cc2F)cc1 |r|
Show InChI InChI=1S/C23H26F2N2O4/c1-16(28)26-9-11-27(12-10-26)18-4-6-19(7-5-18)29-14-20-15-30-23(2,31-20)21-8-3-17(24)13-22(21)25/h3-8,13,20H,9-12,14-15H2,1-2H3/t20-,23+/m0/s1
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MMDB

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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome


Bioorg Med Chem Lett 18: 3974-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.018
BindingDB Entry DOI: 10.7270/Q2JM29F3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%