Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '2-dehydro-3-deoxyphosphooctonate aldolase' and Ligand = 'BDBM50362546'   

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))	BDBM50362546 (CHEMBL1938424) Show SMILES OC(=O)C(CCCCCCOP(O)(O)=O)OP(O)(O)=O Show InChI InChI=1S/C8H18O10P2/c9-8(10)7(18-20(14,15)16)5-3-1-2-4-6-17-19(11,12)13/h7H,1-6H2,(H,9,10)(H2,11,12,13)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	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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