Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50261965'   

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)	BDBM50261965 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(N)(=O)=O |(20.38,-43.46,;21.92,-43.46,;22.82,-42.22,;24.28,-42.69,;24.28,-44.23,;22.82,-44.71,;22.35,-46.17,;23.26,-47.43,;24.8,-47.43,;25.57,-48.76,;24.8,-50.09,;25.57,-51.42,;27.11,-51.43,;27.88,-50.08,;29.41,-50.07,;30.17,-48.74,;29.39,-47.41,;30.15,-46.07,;27.86,-47.43,;27.11,-48.75,;22.35,-48.68,;20.87,-48.2,;19.53,-48.97,;19.52,-50.51,;18.19,-51.28,;16.65,-51.28,;17.42,-52.62,;18.19,-48.2,;16.86,-48.97,;18.19,-46.65,;16.86,-45.88,;19.53,-45.87,;19.52,-44.33,;20.87,-46.65,;25.52,-41.78,;26.85,-41,;24.68,-40.49,;26.37,-43.07,)| Show InChI InChI=1S/C25H24ClN7O4S/c1-30-13-17(38(27,36)37)10-20(30)22-21-23(32(11-14-3-4-14)25(35)31(2)24(21)34)29-33(22)12-15-7-8-28-19-6-5-16(26)9-18(15)19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,27,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	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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