BDBM194260 US9199999, 74

SMILES: Cc1cc(ccc1C(=O)NC1(CC1)C#N)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCO

InChI Key: InChIKey=UUBGMIJNXGBZCE-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 = 194260   

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))	BDBM194260 (US9199999, 74) Show SMILES Cc1cc(ccc1C(=O)NC1(CC1)C#N)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCO Show InChI InChI=1S/C24H21F3N6O2/c1-15-11-16(4-5-18(15)22(35)32-23(14-28)6-7-23)19-12-30-21-20(29-9-8-24(25,26)27)31-17(3-2-10-34)13-33(19)21/h4-5,11-13,34H,6-10H2,1H3,(H,29,31)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	98	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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