Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421061'   

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)	BDBM50421061 (CHEMBL2087852) Show SMILES Cn1cncc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCN3CCOCC3)c(=O)c12 |(33.19,-42.5,;34.69,-42.85,;35.85,-41.84,;37.17,-42.63,;36.83,-44.13,;35.29,-44.27,;34.5,-45.58,;35.4,-46.83,;36.94,-46.83,;37.71,-48.16,;36.94,-49.49,;37.71,-50.83,;39.25,-50.83,;40.02,-49.48,;41.54,-49.47,;42.3,-48.15,;41.53,-46.82,;42.28,-45.48,;40,-46.83,;39.25,-48.16,;34.5,-48.08,;33.03,-47.6,;31.7,-48.36,;31.7,-49.9,;30.37,-50.67,;28.83,-50.68,;29.6,-52.01,;30.37,-47.6,;29.04,-48.37,;30.37,-46.06,;29.04,-45.29,;29.01,-43.75,;29.02,-42.21,;29.03,-40.67,;30.36,-39.91,;31.68,-40.69,;33.02,-39.93,;33.03,-38.39,;31.7,-37.61,;30.36,-38.37,;31.7,-45.28,;31.7,-43.74,;33.03,-46.06,)| Show InChI InChI=1S/C31H31ClN8O3/c1-36-20-33-17-26(36)28-27-29(35-40(28)19-22-8-9-34-25-7-6-23(32)16-24(22)25)39(18-21-4-5-21)31(42)38(30(27)41)11-3-2-10-37-12-14-43-15-13-37/h6-9,16-17,20-21H,4-5,10-15,18-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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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