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SMILES: NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12

InChI Key: InChIKey=UGCZNDYBDIDDPO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053332   
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))		BDBM50053332
PNG
(CHEMBL3330259)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12
Show InChI InChI=1S/C20H17N5O3S/c21-29(27,28)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)24-25-19)23-20(26)22-14-6-2-1-3-7-14/h1-12H,(H,24,25)(H2,21,27,28)(H2,22,23,26)
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MMDB

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PubMed
n/an/a 390n/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