BDBM50053339 CHEMBL3330267

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

InChI Key: InChIKey=BEGOPEDOCUSBOT-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 = 50053339   

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))	BDBM50053339 (CHEMBL3330267) Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(CNC(=O)c3ccccc3)cc12 Show InChI InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-16(12-17)20-18-11-14(9-10-19(18)24-25-20)13-23-21(26)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,26)(H,24,25)(H2,22,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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