Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM213812'   

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))	BDBM213812 (US9284317, 2-4) Show SMILES CC(C)(C)OC(=O)NC\C=C/CCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1 Show InChI InChI=1S/C32H36N6O3/c1-32(2,3)41-31(40)34-19-9-5-8-18-33-28-29-35-20-27(38(29)21-26(37-28)22-10-6-4-7-11-22)23-12-14-24(15-13-23)30(39)36-25-16-17-25/h4-7,9-15,20-21,25H,8,16-19H2,1-3H3,(H,33,37)(H,34,40)(H,36,39)/b9-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.3	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 US9284317 (2016) BindingDB Entry DOI: 10.7270/Q2HM5799
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