Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421079'   

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 J99)	BDBM50421079 (CHEMBL2088114) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCn3ccnn3)c(=O)c12)C#N |(-3.21,-26.99,;-1.71,-27.33,;-.55,-26.32,;.77,-27.12,;.43,-28.62,;-1.11,-28.75,;-1.9,-30.07,;-1,-31.31,;.54,-31.31,;1.31,-32.65,;.54,-33.98,;1.31,-35.31,;2.85,-35.31,;3.62,-33.96,;5.14,-33.96,;5.9,-32.63,;5.13,-31.31,;5.88,-29.97,;3.6,-31.32,;2.85,-32.64,;-1.9,-32.56,;-3.37,-32.09,;-4.7,-32.85,;-4.7,-34.39,;-6.03,-35.15,;-7.57,-35.16,;-6.8,-36.5,;-6.03,-32.08,;-7.36,-32.86,;-6.03,-30.54,;-7.36,-29.78,;-7.37,-28.24,;-8.7,-27.47,;-10.12,-28.1,;-11.15,-26.96,;-10.39,-25.62,;-8.88,-25.94,;-4.7,-29.77,;-4.7,-28.23,;-3.37,-30.54,;2.19,-26.52,;3.6,-25.92,)| Show InChI InChI=1S/C29H25ClN10O2/c1-36-15-19(14-31)12-24(36)26-25-27(34-40(26)17-20-6-7-32-23-5-4-21(30)13-22(20)23)39(16-18-2-3-18)29(42)38(28(25)41)11-10-37-9-8-33-35-37/h4-9,12-13,15,18H,2-3,10-11,16-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori J99 glutamate racemase				Bioorg Med Chem Lett 22: 5600-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.004 BindingDB Entry DOI: 10.7270/Q2NZ88XM
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