Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50262114'   

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)	BDBM50262114 (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)=O |(-3.7,2.05,;-2.16,2.05,;-1.26,3.29,;.2,2.82,;.21,1.29,;-1.26,.8,;-1.73,-.66,;-.82,-1.91,;.72,-1.91,;1.5,-3.25,;.72,-4.58,;1.49,-5.91,;3.04,-5.92,;3.8,-4.57,;5.33,-4.56,;6.1,-3.23,;5.31,-1.9,;6.07,-.56,;3.79,-1.92,;3.03,-3.24,;-1.73,-3.17,;-3.2,-2.69,;-4.55,-3.46,;-4.55,-5,;-5.89,-5.77,;-7.42,-5.77,;-6.66,-7.11,;-5.88,-2.69,;-7.22,-3.46,;-5.88,-1.14,;-7.22,-.37,;-4.55,-.36,;-4.55,1.18,;-3.2,-1.14,;1.45,3.73,;2.69,4.64,;.6,5.02,;2.3,2.45,)| Show InChI InChI=1S/C26H25ClN6O4S/c1-30-14-18(38(3,36)37)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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	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
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM50262114 (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)=O |(-3.7,2.05,;-2.16,2.05,;-1.26,3.29,;.2,2.82,;.21,1.29,;-1.26,.8,;-1.73,-.66,;-.82,-1.91,;.72,-1.91,;1.5,-3.25,;.72,-4.58,;1.49,-5.91,;3.04,-5.92,;3.8,-4.57,;5.33,-4.56,;6.1,-3.23,;5.31,-1.9,;6.07,-.56,;3.79,-1.92,;3.03,-3.24,;-1.73,-3.17,;-3.2,-2.69,;-4.55,-3.46,;-4.55,-5,;-5.89,-5.77,;-7.42,-5.77,;-6.66,-7.11,;-5.88,-2.69,;-7.22,-3.46,;-5.88,-1.14,;-7.22,-.37,;-4.55,-.36,;-4.55,1.18,;-3.2,-1.14,;1.45,3.73,;2.69,4.64,;.6,5.02,;2.3,2.45,)| Show InChI InChI=1S/C26H25ClN6O4S/c1-30-14-18(38(3,36)37)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	34	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
					More data for this Ligand-Target Pair