Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50262061'   

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)	BDBM50262061 (2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylme...) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O |(-3.28,-44.41,;-1.74,-44.41,;-.84,-43.17,;.62,-43.64,;.63,-45.17,;-.84,-45.66,;-1.31,-47.12,;-.4,-48.37,;1.14,-48.37,;1.92,-49.71,;1.14,-51.04,;1.91,-52.37,;3.46,-52.37,;4.22,-51.03,;5.75,-51.02,;6.52,-49.69,;5.73,-48.36,;6.49,-47.02,;4.21,-48.38,;3.45,-49.7,;-1.31,-49.63,;-2.78,-49.15,;-4.13,-49.92,;-4.13,-51.46,;-5.47,-52.23,;-7,-52.23,;-6.24,-53.57,;-5.46,-49.15,;-6.8,-49.92,;-5.46,-47.6,;-6.8,-46.83,;-4.13,-46.82,;-4.13,-45.28,;-2.78,-47.6,;1.87,-42.73,;1.86,-41.18,;3.28,-43.35,)| Show InChI InChI=1S/C26H25ClN6O3S/c1-30-14-18(37(3)36)11-21(30)23-22-24(32(12-15-4-5-15)26(35)31(2)25(22)34)29-33(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15H,4-5,12-13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	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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