Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM236677'   

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))	BDBM236677 (US9388140, 18) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C27H24ClF3N4O2/c1-16-12-19(6-9-22(16)26(36)34-18-4-5-18)35-15-33-25-23(32-11-10-27(29,30)31)13-21(14-24(25)35)37-20-7-2-17(28)3-8-20/h2-3,6-9,12-15,18,32H,4-5,10-11H2,1H3,(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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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