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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50166452   
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))		BDBM50166452
PNG
((R)-1-(2-fluoro-6-(methylsulfonyl)benzyl)-3-(2-ami...)
Show SMILES CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C26H23ClFN3O4S/c1-36(34,35)24-13-7-12-22(28)20(24)15-30-14-19(18-10-5-6-11-21(18)27)25(32)31(26(30)33)16-23(29)17-8-3-2-4-9-17/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

Bioorg Med Chem Lett 18: 3301-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.036
BindingDB Entry DOI: 10.7270/Q2JD4WKM
More data for this
Ligand-Target Pair