Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421059'   

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)	BDBM50421059 (CHEMBL2087849) Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12 |(33.55,-26.78,;35.05,-27.13,;36.21,-26.12,;37.53,-26.91,;37.19,-28.41,;35.65,-28.54,;34.86,-29.86,;35.76,-31.11,;37.3,-31.11,;38.07,-32.44,;37.3,-33.77,;38.07,-35.1,;39.61,-35.1,;40.38,-33.76,;41.9,-33.75,;42.66,-32.42,;41.89,-31.1,;42.65,-29.76,;40.36,-31.11,;39.61,-32.43,;34.86,-32.35,;33.39,-31.88,;32.06,-32.64,;32.06,-34.18,;30.73,-34.95,;29.19,-34.95,;29.96,-36.29,;30.73,-31.88,;29.4,-32.65,;30.73,-30.34,;29.4,-29.57,;29.39,-28.03,;30.15,-26.7,;28.61,-26.7,;32.06,-29.56,;32.06,-28.02,;33.39,-30.34,)| Show InChI InChI=1S/C27H26ClN7O2/c1-32-15-29-11-22(32)24-23-25(31-35(24)14-18-8-9-30-21-7-6-19(28)10-20(18)21)33(12-16-2-3-16)27(37)34(26(23)36)13-17-4-5-17/h6-11,15-17H,2-5,12-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	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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