Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM213820'   

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))	BDBM213820 (US9284317, 6-1) Show SMILES CC(C)CNc1nc(NC(=O)c2ccccn2)cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C26H27N7O2/c1-16(2)13-28-23-24-29-14-21(17-6-8-18(9-7-17)25(34)30-19-10-11-19)33(24)15-22(31-23)32-26(35)20-5-3-4-12-27-20/h3-9,12,14-16,19H,10-11,13H2,1-2H3,(H,28,31)(H,30,34)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284317 (2016) BindingDB Entry DOI: 10.7270/Q2HM5799
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