Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM209400'   

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))	BDBM209400 (US9266890, I-9) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(C)(O)CC1 Show InChI InChI=1S/C26H36N6O3/c1-26(34)11-14-31(15-12-26)19-8-9-20(22(16-19)35-3)28-25-27-17-21-24(29-25)32(18-6-4-5-7-18)13-10-23(33)30(21)2/h8-9,16-18,34H,4-7,10-15H2,1-3H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	254	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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