Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50262013'   

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
Glutamate racemase (Helicobacter pylori)	BDBM50262013 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES CONS(=O)(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 |(24.98,-9.2,;26.32,-9.96,;26.33,-11.5,;25,-12.28,;24.16,-10.99,;25.85,-13.57,;23.76,-13.19,;23.76,-14.73,;22.3,-15.21,;21.83,-16.67,;22.74,-17.93,;24.28,-17.93,;25.05,-19.26,;24.28,-20.59,;25.05,-21.93,;26.59,-21.93,;27.36,-20.58,;28.89,-20.58,;29.65,-19.24,;28.87,-17.92,;29.63,-16.58,;27.34,-17.93,;26.59,-19.26,;21.83,-19.18,;20.35,-18.7,;19.01,-19.47,;19.01,-21.01,;17.67,-21.78,;16.13,-21.78,;16.9,-23.12,;17.67,-18.7,;16.34,-19.47,;17.67,-17.15,;16.34,-16.38,;19.01,-16.37,;19.01,-14.83,;20.35,-17.15,;21.4,-13.96,;19.86,-13.97,;22.3,-12.72,)| Show InChI InChI=1S/C26H26ClN7O5S/c1-31-14-18(40(37,38)30-39-3)11-21(31)23-22-24(33(12-15-4-5-15)26(36)32(2)25(22)35)29-34(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15,30H,4-5,12-13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori MurI				Bioorg Med Chem Lett 18: 4716-22 (2008) Article DOI: 10.1016/j.bmcl.2008.06.092 BindingDB Entry DOI: 10.7270/Q2N29WSP
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