Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50262012'   

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)	BDBM50262012 (5-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cycloprop...) Show SMILES CONS(=O)(=O)c1cc(-c2n(Cc3c[nH]c4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 |(3.98,-13.58,;3.97,-12.04,;2.63,-11.28,;1.3,-12.06,;.46,-10.78,;2.15,-13.35,;.06,-12.97,;.06,-14.51,;-1.4,-14.99,;-1.87,-16.45,;-.96,-17.71,;.58,-17.71,;1.35,-19.04,;.73,-20.44,;1.87,-21.47,;3.2,-20.7,;4.66,-21.18,;5.8,-20.15,;5.48,-18.64,;6.62,-17.61,;4.02,-18.17,;2.89,-19.2,;-1.87,-18.96,;-3.35,-18.48,;-4.69,-19.25,;-4.69,-20.79,;-6.03,-21.56,;-7.56,-21.56,;-6.8,-22.9,;-6.02,-18.48,;-7.36,-19.25,;-6.02,-16.93,;-7.36,-16.16,;-4.69,-16.15,;-4.69,-14.61,;-3.35,-16.93,;-2.3,-13.75,;-3.84,-13.75,;-1.4,-12.5,)| Show InChI InChI=1S/C25H26ClN7O5S/c1-30-13-17(39(36,37)29-38-3)9-20(30)22-21-23(32(11-14-4-5-14)25(35)31(2)24(21)34)28-33(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27,29H,4-5,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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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