Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Centromere-associated protein E' and Ligand = 'BDBM50438557'   

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))	BDBM50438557 (CHEMBL2413140) Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2sccc2n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H22Cl2FN3OS/c1-28(2)10-11-29(15-16-3-8-19(25)20(26)13-16)24(31)22-14-23-21(9-12-32-23)30(22)18-6-4-17(27)5-7-18/h3-9,12-14H,10-11,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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
					More data for this Ligand-Target Pair