BDBM194312 US9199999, 50

SMILES: OCC#Cc1cn2c(cnc2c(NC[C@H](O)CO)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1

InChI Key: InChIKey=OUMSKHMBCCDZKG-IBGZPJMESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194312   

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))	BDBM194312 (US9199999, 50) Show SMILES OCC#Cc1cn2c(cnc2c(NC[C@H](O)CO)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1 Show InChI InChI=1S/C24H24N6O3/c31-9-1-2-18-13-30-21(12-27-24(30)23(28-18)25-10-19(33)14-32)16-5-3-15(4-6-16)20-11-26-22(29-20)17-7-8-17/h3-6,11-13,17,19,31-33H,7-10,14H2,(H,25,28)(H,26,29)/t19-/m0/s1	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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