Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50262011'   

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)	BDBM50262011 (5-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cycloprop...) Show SMILES CNS(=O)(=O)c1cc(-c2n(Cc3c[nH]c4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 |(26.84,5.41,;25.5,6.17,;24.18,5.39,;23.33,6.68,;25.03,4.1,;22.94,4.48,;22.94,2.94,;21.48,2.46,;21.01,1,;21.92,-.25,;23.46,-.25,;24.23,-1.59,;23.61,-2.99,;24.75,-4.02,;26.08,-3.25,;27.54,-3.72,;28.68,-2.7,;28.36,-1.19,;29.5,-.16,;26.9,-.72,;25.76,-1.74,;21.01,-1.51,;19.53,-1.03,;18.19,-1.8,;18.19,-3.34,;16.85,-4.1,;15.31,-4.11,;16.08,-5.44,;16.85,-1.03,;15.52,-1.8,;16.85,.52,;15.52,1.29,;18.19,1.3,;18.19,2.84,;19.53,.52,;20.58,3.71,;19.04,3.71,;21.48,4.95,)| Show InChI InChI=1S/C25H26ClN7O4S/c1-27-38(36,37)17-9-20(30(2)13-17)22-21-23(32(11-14-4-5-14)25(35)31(3)24(21)34)29-33(22)12-15-10-28-19-7-6-16(26)8-18(15)19/h6-10,13-14,27-28H,4-5,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	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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