Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Centromere-associated protein E' and Ligand = 'BDBM50438556'   

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))	BDBM50438556 (CHEMBL2413141) Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(C)c2n1-c1ccc(F)cc1 Show InChI InChI=1S/C25H24Cl2FN3OS/c1-16-15-33-23-13-22(31(24(16)23)19-7-5-18(28)6-8-19)25(32)30(11-10-29(2)3)14-17-4-9-20(26)21(27)12-17/h4-9,12-13,15H,10-11,14H2,1-3H3	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	370	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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