BDBM194238 US9199999, 62

SMILES: Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCN1CCS(=O)(=O)CC1

InChI Key: InChIKey=RVKRMWPRHIZFKN-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 = 194238   

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))	BDBM194238 (US9199999, 62) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCN1CCS(=O)(=O)CC1 Show InChI InChI=1S/C27H29F3N6O3S/c1-18-15-19(4-7-22(18)26(37)34-20-5-6-20)23-16-32-25-24(31-9-8-27(28,29)30)33-21(17-36(23)25)3-2-10-35-11-13-40(38,39)14-12-35/h4,7,15-17,20H,5-6,8-14H2,1H3,(H,31,33)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	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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