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SMILES: CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1)C1CCN(C)CC1

InChI Key: InChIKey=DNMDZYZOWVOBFJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 175246   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM175246
PNG
(US9115140, I-26)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1)C1CCN(C)CC1 |(5.2,-4.38,;6.53,-5.15,;6.53,-6.69,;7.87,-4.38,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;6.53,-2.07,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;-2.25,-4.33,;-2.73,-5.8,;-1.7,-6.94,;-.19,-6.62,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;3.85,-7.13,;3.97,-4.95,;1.68,-7.01,;1.2,-2.07,;2.53,-2.84,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,)|
Show InChI InChI=1S/C29H30F3N5O3S/c1-16(2)39-22-14-18(17-10-12-37(3)13-11-17)8-9-20(22)35-28-34-15-23-25(36-28)24(26(41-23)27(33)38)19-6-4-5-7-21(19)40-29(30,31)32/h4-9,14-17H,10-13H2,1-3H3,(H2,33,38)(H,34,35,36)
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Similars
US Patent
n/an/a 0.5n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....

US Patent US9115140 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BFX
More data for this
Ligand-Target Pair