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PubMed code 21899332

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))
BDBM50355055
PNG
(CHEMBL1835487)
Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccc(cc1)-c1cncc(F)c1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C39H52FN5O7/c1-38(2,3)32(44-36(49)51-7)34(47)42-29(18-24-12-10-9-11-13-24)21-31(46)30(43-35(48)33(39(4,5)6)45-37(50)52-8)19-25-14-16-26(17-15-25)27-20-28(40)23-41-22-27/h9-17,20,22-23,29-33,46H,18-19,21H2,1-8H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t29-,30-,31-,32+,33+/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 54: 7094-104 (2011)


Article DOI: 10.1021/jm201109t
BindingDB Entry DOI: 10.7270/Q2D50NCV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%