BDBM259472 US9512126, 10

SMILES: COc1ccc(cc1)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1

InChI Key: InChIKey=ZIMHEYHWICKZPG-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 = 259472   

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
GST-Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM259472 (US9512126, 10) Show SMILES COc1ccc(cc1)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C29H28F3N5O2/c1-17-14-20(6-11-23(17)28(38)35-21-7-8-21)26-16-34-27-25(33-13-12-29(30,31)32)15-24(36-37(26)27)18(2)19-4-9-22(39-3)10-5-19/h4-6,9-11,14-16,21,33H,2,7-8,12-13H2,1,3H3,(H,35,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
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