Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Centromere-associated protein E' and Ligand = 'BDBM50438549'   

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
Centromere-associated protein E (Homo sapiens (Human))	BDBM50438549 (CHEMBL2413146) Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc2cccc(Br)n2c1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22BrCl2FN4O/c1-31(2)12-13-32(15-16-6-11-19(27)20(28)14-16)25(34)23-24(17-7-9-18(29)10-8-17)33-21(26)4-3-5-22(33)30-23/h3-11,14H,12-13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay				Bioorg Med Chem 21: 5488-502 (2013) Article DOI: 10.1016/j.bmc.2013.05.067 BindingDB Entry DOI: 10.7270/Q20G3MKN
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