Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50262059'   

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)	BDBM50262059 (2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...) Show SMILES Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O |(-3.71,-29.79,;-2.17,-29.79,;-1.27,-28.54,;.2,-29.01,;.2,-30.55,;-1.27,-31.03,;-1.74,-32.49,;-.82,-33.75,;.72,-33.75,;1.49,-35.08,;.72,-36.41,;1.48,-37.75,;3.03,-37.75,;3.79,-36.4,;5.33,-36.4,;6.09,-35.07,;5.31,-33.74,;6.07,-32.4,;3.78,-33.75,;3.02,-35.08,;-1.74,-35,;-3.21,-34.52,;-4.56,-35.29,;-4.56,-36.83,;-5.9,-37.6,;-7.43,-37.61,;-6.66,-38.94,;-5.89,-34.52,;-7.23,-35.29,;-5.89,-32.97,;-7.23,-32.21,;-4.56,-32.19,;-4.56,-30.65,;-3.21,-32.97,;1.44,-28.1,;2.68,-27.19,;.59,-26.81,;2.29,-29.39,)| Show InChI InChI=1S/C25H24ClN7O4S/c1-30-13-19(38(3,36)37)28-23(30)21-20-22(32(11-14-4-5-14)25(35)31(2)24(20)34)29-33(21)12-15-8-9-27-18-7-6-16(26)10-17(15)18/h6-10,13-14H,4-5,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori MurI				Bioorg Med Chem Lett 18: 4716-22 (2008) Article DOI: 10.1016/j.bmcl.2008.06.092 BindingDB Entry DOI: 10.7270/Q2N29WSP
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