BDBM194266 US9199999, 4

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

InChI Key: InChIKey=ODGCLXFVSQMTAJ-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 = 194266   

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))	BDBM194266 (US9199999, 4) Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)S(=O)(=O)NC1CC1)C#CCO Show InChI InChI=1S/C22H25N5O3S/c1-15(2)12-23-21-22-24-13-20(27(22)14-18(25-21)4-3-11-28)16-5-9-19(10-6-16)31(29,30)26-17-7-8-17/h5-6,9-10,13-15,17,26,28H,7-8,11-12H2,1-2H3,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.84E+3	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