Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM236724'   

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))	BDBM236724 (US9388140, 66) Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12 Show InChI InChI=1S/C26H23F5N4O2/c1-3-32-25(36)18-8-7-16(11-15(18)2)35-14-34-24-20(33-10-9-26(29,30)31)12-17(13-21(24)35)37-22-6-4-5-19(27)23(22)28/h4-8,11-14,33H,3,9-10H2,1-2H3,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	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 US9388140 (2016) BindingDB Entry DOI: 10.7270/Q2BP01QF
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