BDBM194272 US9199999, 10

SMILES: CC(C)(O)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCO

InChI Key: InChIKey=KRTBEZVYGAAVCC-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 = 194272   

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))	BDBM194272 (US9199999, 10) Show SMILES CC(C)(O)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCO Show InChI InChI=1S/C23H25N5O3/c1-23(2,31)14-25-20-21-24-12-19(28(21)13-18(26-20)4-3-11-29)15-5-7-16(8-6-15)22(30)27-17-9-10-17/h5-8,12-13,17,29,31H,9-11,14H2,1-2H3,(H,25,26)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	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
					More data for this Ligand-Target Pair