BDBM194258 US9199999, 72

SMILES: Cc1cc(ccc1C(=O)NCC(F)F)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCO

InChI Key: InChIKey=DATDSDSXVSAMRO-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 = 194258   

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))	BDBM194258 (US9199999, 72) Show SMILES Cc1cc(ccc1C(=O)NCC(F)F)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCO Show InChI InChI=1S/C22H20F5N5O2/c1-13-9-14(4-5-16(13)21(34)30-11-18(23)24)17-10-29-20-19(28-7-6-22(25,26)27)31-15(3-2-8-33)12-32(17)20/h4-5,9-10,12,18,33H,6-8,11H2,1H3,(H,28,31)(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...				US Patent US9199999 (2015) BindingDB Entry DOI: 10.7270/Q2348J68
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