BDBM50053312 CHEMBL3330240

SMILES: NS(=O)(=O)c1ccc(cc1)-c1n[nH]c2cccc(Cl)c12

InChI Key: InChIKey=QECFNUDMQVWNDX-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 = 50053312   

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))	BDBM50053312 (CHEMBL3330240) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1n[nH]c2cccc(Cl)c12 Show InChI InChI=1S/C13H10ClN3O2S/c14-10-2-1-3-11-12(10)13(17-16-11)8-4-6-9(7-5-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of GST-fused full length human TTK 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