Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM213802'   

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))	BDBM213802 (US9284317, 1-14) Show SMILES C\C=C\c1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(C(=O)NC2CC2)c(F)c1 Show InChI InChI=1S/C23H26FN5O/c1-4-5-17-13-29-20(12-26-22(29)21(27-17)25-11-14(2)3)15-6-9-18(19(24)10-15)23(30)28-16-7-8-16/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,25,27)(H,28,30)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.7	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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