Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '2-dehydro-3-deoxyphosphooctonate aldolase' and Ligand = 'BDBM50362545'   

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))	BDBM50362545 (CHEMBL1235229) Show SMILES C[C@H](OP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+6	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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