BDBM194315 US9199999, 53

SMILES: OCC#Cc1cn2c(cnc2c(NCC=C)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1

InChI Key: InChIKey=JCJIERSDJAMBJT-UHFFFAOYSA-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 = 194315   

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))	BDBM194315 (US9199999, 53) Show SMILES OCC#Cc1cn2c(cnc2c(NCC=C)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1 Show InChI InChI=1S/C24H22N6O/c1-2-11-25-23-24-27-14-21(30(24)15-19(28-23)4-3-12-31)17-7-5-16(6-8-17)20-13-26-22(29-20)18-9-10-18/h2,5-8,13-15,18,31H,1,9-12H2,(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	18	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