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SMILES: CS(=O)(=O)c1ccc(Nc2nc3ccc(cn3n2)-c2ccc(NC(=O)[C@H](N)c3ccc(F)cc3)cc2)c(OCC(F)(F)F)c1

InChI Key: InChIKey=GNQLOVQPSYOAIQ-AREMUKBSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329352   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM329352
PNG
((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[4-(methy...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3ccc(cn3n2)-c2ccc(NC(=O)[C@H](N)c3ccc(F)cc3)cc2)c(OCC(F)(F)F)c1 |r|
Show InChI InChI=1S/C29H24F4N6O4S/c1-44(41,42)22-11-12-23(24(14-22)43-16-29(31,32)33)36-28-37-25-13-6-19(15-39(25)38-28)17-4-9-21(10-5-17)35-27(40)26(34)18-2-7-20(30)8-3-18/h2-15,26H,16,34H2,1H3,(H,35,40)(H,36,38)/t26-/m1/s1
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KEGG

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US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

US Patent US9663510 (2017)


BindingDB Entry DOI: 10.7270/Q2DV1N06
More data for this
Ligand-Target Pair