Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mannose-6-phosphate isomerase' and Ligand = 'BDBM44442'   

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
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM44442 (2-(1-methyl-2-benzimidazolyl)-2-[4-oxo-3-prop-2-en...) Show SMILES COc1cc(C=c2s\c(=C(\C#N)c3nc4ccccc4n3C)n(CC=C)c2=O)cc(OC)c1OC Show InChI InChI=1S/C26H24N4O4S/c1-6-11-30-25(31)22(14-16-12-20(32-3)23(34-5)21(13-16)33-4)35-26(30)17(15-27)24-28-18-9-7-8-10-19(18)29(24)2/h6-10,12-14H,1,11H2,2-5H3/b22-14?,26-17-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of human purified phosphomannose isomerase				J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP
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