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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A' and Ligand = 'BDBM50376470'   
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 3A


(Homo sapiens (Human))
BDBM50376470
PNG
(CHEMBL405895)
Show SMILES Oc1cc2N=C(CC(=O)Nc2cc1-c1ccccc1F)c1cccc(c1)-n1ccnc1 |c:4|
Show InChI InChI=1S/C24H17FN4O2/c25-19-7-2-1-6-17(19)18-11-21-22(12-23(18)30)27-20(13-24(31)28-21)15-4-3-5-16(10-15)29-9-8-26-14-29/h1-12,14,30H,13H2,(H,28,31)
PDB
MMDB

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n/an/a 1n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 2725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.076
BindingDB Entry DOI: 10.7270/Q2S75H7D
More data for this
Ligand-Target Pair