Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM228358'   

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))	BDBM228358 (US9555022, Example 04.25) Show SMILES COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C32H31FN6O3/c1-41-29-18-23(20-38-14-16-42-17-15-38)4-12-28(29)35-32-36-30-13-9-26(21-39(30)37-32)24-5-7-25(8-6-24)31(40)34-19-22-2-10-27(33)11-3-22/h2-13,18,21H,14-17,19-20H2,1H3,(H,34,40)(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	<1	n/a	n/a	n/a	n/a	7.7	n/a
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 US9555022 (2017) BindingDB Entry DOI: 10.7270/Q25H7J86
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