Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421083'   

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)	BDBM50421083 (CHEMBL2088118) Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12)C#N |(12.66,-40.8,;14.16,-41.15,;15.32,-40.14,;16.64,-40.93,;16.3,-42.43,;14.76,-42.57,;13.96,-43.88,;14.87,-45.13,;16.41,-45.13,;17.18,-46.47,;16.41,-47.79,;17.18,-49.13,;18.72,-49.13,;19.49,-47.78,;21.01,-47.77,;21.77,-46.45,;20.99,-45.12,;21.75,-43.78,;19.47,-45.14,;18.72,-46.46,;13.96,-46.38,;12.5,-45.9,;11.17,-46.66,;11.17,-48.2,;9.83,-48.97,;8.3,-48.98,;9.07,-50.31,;9.84,-45.9,;8.51,-46.67,;9.84,-44.36,;8.5,-43.59,;8.5,-42.05,;7.16,-41.29,;11.17,-43.58,;11.17,-42.04,;12.5,-44.36,;18.05,-40.33,;19.47,-39.73,)| Show InChI InChI=1S/C27H23ClN8O2/c1-3-10-34-26(37)22-23(25-31-19(12-29)15-33(25)2)36(32-24(22)35(27(34)38)13-16-4-5-16)14-17-8-9-30-21-7-6-18(28)11-20(17)21/h3,6-9,11,15-16H,1,4-5,10,13-14H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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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