BDBM194270 US9199999, 8

SMILES: CC(C)(O)C#Cc1cn2c(cnc2c(NCCCCO)n1)-c1ccc(cc1)C(=O)NC1CC1

InChI Key: InChIKey=YCKPEFHLYWVLJA-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 = 194270   

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))	BDBM194270 (US9199999, 8) Show SMILES CC(C)(O)C#Cc1cn2c(cnc2c(NCCCCO)n1)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C25H29N5O3/c1-25(2,33)12-11-20-16-30-21(15-27-23(30)22(28-20)26-13-3-4-14-31)17-5-7-18(8-6-17)24(32)29-19-9-10-19/h5-8,15-16,19,31,33H,3-4,9-10,13-14H2,1-2H3,(H,26,28)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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