Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM141336'   

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))	BDBM141336 (US8916577, 99) Show SMILES CCc1cccc(CC)c1NC(=O)c1noc-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI InChI=1S/C33H39N7O3/c1-5-21-9-7-10-22(6-2)28(21)36-32(41)30-25-12-8-11-23-20-34-33(37-29(23)31(25)43-38-30)35-26-14-13-24(19-27(26)42-4)40-17-15-39(3)16-18-40/h7,9-10,13-14,19-20H,5-6,8,11-12,15-18H2,1-4H3,(H,36,41)(H,34,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	134	n/a	n/a	n/a	n/a	3.0	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...				US Patent US8916577 (2014) BindingDB Entry DOI: 10.7270/Q25719RJ
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