Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM251788'   

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))	BDBM251788 (US9468642, 31) Show SMILES CSc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)-c1ccncc1 Show InChI InChI=1S/C24H20N6S/c1-31-24-23-27-13-21(30(23)14-20(29-24)16-8-10-25-11-9-16)17-4-2-15(3-5-17)19-12-26-22(28-19)18-6-7-18/h2-5,8-14,18H,6-7H2,1H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	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 US9468642 (2016) BindingDB Entry DOI: 10.7270/Q2028QFV
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