Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '2-dehydro-3-deoxyphosphooctonate aldolase' and Ligand = 'BDBM50362548'   

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
2-dehydro-3-deoxyphosphooctonate aldolase (Neisseria meningitidis serogroup B (strain MC58))	BDBM50362548 (CHEMBL1941140) Show SMILES OC(CCCCCCOP(O)(O)=O)C(O)=O Show InChI InChI=1S/C8H17O7P/c9-7(8(10)11)5-3-1-2-4-6-15-16(12,13)14/h7,9H,1-6H2,(H,10,11)(H2,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Competitive inhibition of Neisseria meningitidis serotype B strain MC58 ATCC BAA355 KDO8P synthase expressed in Escherichia coli BL21 (DE3) cells usi...				Bioorg Med Chem Lett 22: 907-11 (2012) Article DOI: 10.1016/j.bmcl.2011.12.025 BindingDB Entry DOI: 10.7270/Q2N87B76
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