Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Centromere-associated protein E' and Ligand = 'BDBM50438551'   

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))	BDBM50438551 (CHEMBL2413132) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C Show InChI InChI=1S/C25H17F7N2O2S/c1-33(10-13-7-15(24(27,28)29)9-16(8-13)25(30,31)32)23(36)21-20(14-3-5-17(26)6-4-14)18-11-37-12-19(18)22(35)34(21)2/h3-9,11-12H,10H2,1-2H3	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of ATPase activity of CENP-E motor domain (unknown origin) by high throughput screening 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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