Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM228383'   

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))	BDBM228383 (US9555022, Example 09.01) Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(OC)c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C33H31FN6O5/c1-43-28-17-22(5-10-26(28)31(41)35-19-21-3-8-25(34)9-4-21)24-7-12-30-37-33(38-40(30)20-24)36-27-11-6-23(18-29(27)44-2)32(42)39-13-15-45-16-14-39/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,35,41)(H,36,38)	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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