Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421087'   

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)	BDBM50421087 (CHEMBL2087870) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CCn3cccn3)c(=O)c12)C#N |(32.7,-12.31,;34.2,-12.65,;35.36,-11.64,;36.68,-12.43,;36.33,-13.94,;34.8,-14.07,;34,-15.39,;34.91,-16.63,;36.45,-16.63,;37.22,-17.97,;36.45,-19.3,;37.22,-20.63,;38.76,-20.63,;39.52,-19.28,;41.05,-19.28,;41.81,-17.95,;41.03,-16.62,;41.79,-15.28,;39.51,-16.64,;38.76,-17.96,;34,-17.88,;32.54,-17.4,;31.21,-18.16,;31.21,-19.7,;29.87,-20.47,;28.33,-20.48,;29.1,-21.81,;29.88,-17.4,;28.55,-18.17,;29.88,-15.86,;28.54,-15.09,;28.54,-13.55,;27.2,-12.79,;25.79,-13.43,;24.75,-12.29,;25.52,-10.95,;27.03,-11.27,;31.21,-15.08,;31.21,-13.54,;32.54,-15.86,;38.09,-11.83,;39.51,-11.23,)| Show InChI InChI=1S/C30H26ClN9O2/c1-36-16-20(15-32)13-25(36)27-26-28(35-40(27)18-21-7-9-33-24-6-5-22(31)14-23(21)24)39(17-19-3-4-19)30(42)38(29(26)41)12-11-37-10-2-8-34-37/h2,5-10,13-14,16,19H,3-4,11-12,17-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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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