Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM190391'   

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))	BDBM190391 (US9670202, Example01.08 4-(2-{[4-(diethylcarbamoyl...) Show SMILES CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCCOC)c1 Show InChI InChI=1S/C32H39FN8O4/c1-4-38(5-2)30(42)24-8-12-27(28(20-24)45-19-18-44-3)35-31-36-29-13-11-26(22-41(29)37-31)39-14-16-40(17-15-39)32(43)34-21-23-6-9-25(33)10-7-23/h6-13,20,22H,4-5,14-19,21H2,1-3H3,(H,34,43)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70E+4	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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