Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM190356'   

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))	BDBM190356 (US9670202, Example01.01 4-(2-{[2-ethoxy-4-(ethylca...) Show SMILES CCNC(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC)c1 Show InChI InChI=1S/C29H33FN8O3/c1-3-31-27(39)21-7-11-24(25(17-21)41-4-2)33-28-34-26-12-10-23(19-38(26)35-28)36-13-15-37(16-14-36)29(40)32-18-20-5-8-22(30)9-6-20/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,31,39)(H,32,40)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.7	n/a
BAYER PHARMA AKTIENGESELLSCHAFT 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 US9670202 (2017) BindingDB Entry DOI: 10.7270/Q24Q7S5H
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