BDBM251757 US9468642, 6

SMILES: CCCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1

InChI Key: InChIKey=IHTZRWMSALWRKT-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 = 251757   

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))	BDBM251757 (US9468642, 6) Show SMILES CCCSc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C25H24N4OS/c1-2-14-31-25-23-26-15-22(29(23)16-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,15-16,20H,2,12-14H2,1H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.7	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9468642 (2016) BindingDB Entry DOI: 10.7270/Q2028QFV
					More data for this Ligand-Target Pair