Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM317473'   

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))	BDBM317473 (4-(5-(4-(1H-imidazol-2- yl)phenyl)-4-(tetrahydro-2...) Show SMILES CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc(cc2)-c2ncc[nH]2)c(OC)c1 Show InChI InChI=1S/C29H29N7O4/c1-30-27(37)19-7-8-22(23(15-19)38-2)34-29-35-26-24(28(36-29)40-20-9-13-39-14-10-20)21(16-33-26)17-3-5-18(6-4-17)25-31-11-12-32-25/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H,30,37)(H,31,32)(H2,33,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.12	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
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