Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421049'   

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)	BDBM50421049 (CHEMBL2087627) Show SMILES Cn1cnnc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(13.36,-40.21,;14.86,-40.56,;16.02,-39.55,;17.35,-40.34,;17,-41.84,;15.46,-41.98,;14.67,-43.29,;15.57,-44.54,;17.11,-44.54,;17.88,-45.87,;17.11,-47.2,;17.88,-48.54,;19.42,-48.54,;20.19,-47.19,;21.72,-47.18,;22.48,-45.86,;21.7,-44.53,;22.46,-43.19,;20.17,-44.54,;19.42,-45.87,;14.67,-45.79,;13.2,-45.31,;11.87,-46.07,;11.87,-47.61,;10.54,-48.38,;9,-48.39,;9.77,-49.72,;10.54,-45.31,;9.21,-46.08,;10.54,-43.77,;9.21,-43,;11.87,-42.99,;11.87,-41.45,;13.2,-43.77,)| Show InChI InChI=1S/C23H21ClN8O2/c1-29-12-26-27-21(29)19-18-20(31(10-13-3-4-13)23(34)30(2)22(18)33)28-32(19)11-14-7-8-25-17-6-5-15(24)9-16(14)17/h5-9,12-13H,3-4,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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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