Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50261966'   

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)	BDBM50261966 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES CNS(=O)(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 |(3.07,6.21,;3.08,4.67,;1.76,3.89,;.91,5.17,;2.61,2.6,;.51,2.98,;.52,1.44,;-.95,.96,;-1.42,-.51,;-.51,-1.76,;1.03,-1.76,;1.8,-3.1,;1.03,-4.43,;1.8,-5.76,;3.34,-5.76,;4.11,-4.42,;5.64,-4.41,;6.4,-3.08,;5.62,-1.75,;6.38,-.41,;4.09,-1.76,;3.34,-3.09,;-1.42,-3.02,;-2.9,-2.54,;-4.24,-3.3,;-4.24,-4.85,;-5.58,-5.61,;-7.11,-5.62,;-6.35,-6.95,;-5.57,-2.53,;-6.91,-3.3,;-5.57,-.98,;-6.91,-.22,;-4.24,-.21,;-4.24,1.34,;-2.9,-.98,;-1.85,2.2,;-3.39,2.2,;-.95,3.45,)| Show InChI InChI=1S/C26H26ClN7O4S/c1-28-39(37,38)18-11-21(31(2)14-18)23-22-24(33(12-15-4-5-15)26(36)32(3)25(22)35)30-34(23)13-16-8-9-29-20-7-6-17(27)10-19(16)20/h6-11,14-15,28H,4-5,12-13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	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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