BDBM50053321 CHEMBL3330248

SMILES: CC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1

InChI Key: InChIKey=WJMWEDMHIXNQSH-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053321   

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))	BDBM50053321 (CHEMBL3330248) Show SMILES CC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C15H14N4O3S/c1-9(20)17-11-5-6-14-13(8-11)15(19-18-14)10-3-2-4-12(7-10)23(16,21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H2,16,21,22)	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	640	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