Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM236666'   

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))	BDBM236666 (US9388140, 7) Show SMILES CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN4O/c1-17(2)15-29-24-13-20(18-3-7-21(28)8-4-18)14-25-26(24)30-16-32(25)23-11-5-19(6-12-23)27(33)31-22-9-10-22/h3-8,11-14,16-17,22,29H,9-10,15H2,1-2H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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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