Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM317479'   

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))	BDBM317479 (4-(4-cyclobutoxy-5-(4- (methylcarbamoyl)phenyl)-7H...) Show SMILES CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC3COC3)nc(OC3CCC3)c12 Show InChI InChI=1S/C29H30N6O5/c1-30-26(36)17-8-6-16(7-9-17)21-13-31-25-24(21)28(40-20-4-3-5-20)35-29(34-25)33-22-11-10-18(12-23(22)38-2)27(37)32-19-14-39-15-19/h6-13,19-20H,3-5,14-15H2,1-2H3,(H,30,36)(H,32,37)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.35	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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