Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421050'   

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)	BDBM50421050 (CHEMBL2087841) Show SMILES CC(C)Cn1c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cccn3C)c2c(=O)n(C)c1=O |(27.59,-46.96,;28.92,-47.73,;28.91,-49.26,;30.26,-46.96,;30.26,-45.42,;31.59,-44.66,;33.05,-45.14,;33.96,-43.89,;35.5,-43.89,;36.27,-45.22,;35.5,-46.55,;36.27,-47.89,;37.81,-47.89,;38.57,-46.54,;40.1,-46.53,;40.86,-45.21,;40.08,-43.88,;40.84,-42.54,;38.56,-43.89,;37.81,-45.22,;33.05,-42.64,;33.85,-41.33,;35.38,-41.19,;35.73,-39.69,;34.41,-38.9,;33.25,-39.91,;31.75,-39.56,;31.59,-43.12,;30.26,-42.34,;30.26,-40.8,;28.93,-43.12,;27.59,-42.35,;28.93,-44.66,;27.59,-45.43,)| Show InChI InChI=1S/C25H25ClN6O2/c1-15(2)13-31-23-21(24(33)30(4)25(31)34)22(20-6-5-11-29(20)3)32(28-23)14-16-9-10-27-19-8-7-17(26)12-18(16)19/h5-12,15H,13-14H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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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