Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM209403'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM209403 (US9266890, I-13) Show SMILES CCOc1cc(ccc1Nc1ncc2N(CC)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H38N6O3/c1-3-32-23-18-28-27(30-26(23)33(16-13-25(32)35)19-7-5-6-8-19)29-22-10-9-20(17-24(22)36-4-2)31-14-11-21(34)12-15-31/h9-10,17-19,21,34H,3-8,11-16H2,1-2H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
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