BDBM194231 US9199999, 59

SMILES: OCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCO

InChI Key: InChIKey=OAKUUSQUHCULEY-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 = 194231   

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))	BDBM194231 (US9199999, 59) Show SMILES OCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCO Show InChI InChI=1S/C24H24N6O2/c31-11-1-3-19-15-30-21(14-27-24(30)23(28-19)25-10-2-12-32)17-6-4-16(5-7-17)20-13-26-22(29-20)18-8-9-18/h4-7,13-15,18,31-32H,2,8-12H2,(H,25,28)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	53	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