Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'M-phase inducer phosphatase 2' and Ligand = 'BDBM50104701'   

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
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104701 (4-Hydroxy-5-hydroxymethyl-2-oxo-2,5-dihydro-furan-...) Show SMILES OCc1oc(O)c(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O Show InChI InChI=1S/C16H9F17O6/c17-9(18,1-2-38-7(36)5-6(35)4(3-34)39-8(5)37)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h34-35,37H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
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