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BDBM50053316 CHEMBL3330243

SMILES: NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cccc(-c3c(F)cccc3F)c12

InChI Key: InChIKey=WUFAULWDJBLNDT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053316   
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))		BDBM50053316
PNG
(CHEMBL3330243)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cccc(-c3c(F)cccc3F)c12 |(19.97,-9.17,;19.18,-7.85,;20.51,-7.06,;19.17,-6.31,;17.64,-7.87,;16.86,-6.54,;15.31,-6.57,;14.56,-7.91,;15.35,-9.22,;16.89,-9.21,;14.6,-10.57,;15.51,-11.82,;14.6,-13.08,;13.12,-12.6,;11.79,-13.37,;10.46,-12.6,;10.46,-11.05,;11.79,-10.28,;11.78,-8.74,;10.45,-7.99,;9.12,-8.77,;10.44,-6.45,;11.77,-5.67,;13.11,-6.44,;13.11,-7.97,;14.45,-8.74,;13.12,-11.05,)|
Show InChI InChI=1S/C19H13F2N3O2S/c20-14-7-3-8-15(21)17(14)13-6-2-9-16-18(13)19(24-23-16)11-4-1-5-12(10-11)27(22,25)26/h1-10H,(H,23,24)(H2,22,25,26)
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Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay

Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair