BDBM50053345 CHEMBL3330273

SMILES: Cc1ccccc1CC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1

InChI Key: InChIKey=BOWODCPNXHVMPZ-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 = 50053345   

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))	BDBM50053345 (CHEMBL3330273) Show SMILES Cc1ccccc1CC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C22H20N4O3S/c1-14-5-2-3-6-15(14)12-21(27)24-17-9-10-20-19(13-17)22(26-25-20)16-7-4-8-18(11-16)30(23,28)29/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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