Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM149685'   

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))	BDBM149685 (US8975267, 7) Show SMILES COc1cc(ccc1Nc1ncc2CCc3c(C(N)=O)c(C)n(C)c3-c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H31N7O2/c1-15-21(24(26)33)18-7-5-16-14-27-25(29-22(16)23(18)31(15)3)28-19-8-6-17(13-20(19)34-4)32-11-9-30(2)10-12-32/h6,8,13-14H,5,7,9-12H2,1-4H3,(H2,26,33)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	3.0	n/a
Nerviano Medical Sciences S.r.l. US Patent					Assay Description Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-...				US Patent US8975267 (2015) BindingDB Entry DOI: 10.7270/Q29C6W41
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