Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM213794'   

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))	BDBM213794 (US9284317, 1-6) Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C1CCC=CC1 |c:33| Show InChI InChI=1S/C26H31N5O/c1-17(2)14-27-24-25-28-15-23(31(25)16-22(30-24)18-6-4-3-5-7-18)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h3-4,8-11,15-18,21H,5-7,12-14H2,1-2H3,(H,27,30)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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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