BDBM50053349 CHEMBL3330277

SMILES: NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C3(CC3)c3ccccc3)cc12

InChI Key: InChIKey=NYBYFPMEAPNASU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053349   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50053349 (CHEMBL3330277) Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C3(CC3)c3ccccc3)cc12 Show InChI InChI=1S/C23H20N4O3S/c24-31(29,30)18-8-4-5-15(13-18)21-19-14-17(9-10-20(19)26-27-21)25-22(28)23(11-12-23)16-6-2-1-3-7-16/h1-10,13-14H,11-12H2,(H,25,28)(H,26,27)(H2,24,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/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