Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421051'   

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)	BDBM50421051 (CHEMBL2087842) Show SMILES Cc1sc(N)nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(-3.9,3.89,;-2.4,3.54,;-1.24,4.55,;.08,3.76,;1.5,4.36,;-.26,2.26,;-1.8,2.13,;-2.6,.81,;-1.69,-.44,;-.15,-.44,;.62,-1.77,;-.15,-3.1,;.62,-4.43,;2.16,-4.43,;2.92,-3.09,;4.45,-3.08,;5.21,-1.75,;4.43,-.43,;5.19,.91,;2.91,-.44,;2.16,-1.76,;-2.6,-1.68,;-4.06,-1.21,;-5.39,-1.97,;-5.39,-3.51,;-6.73,-4.28,;-8.26,-4.28,;-7.5,-5.62,;-6.72,-1.21,;-8.05,-1.98,;-6.72,.33,;-8.06,1.1,;-5.39,1.11,;-5.39,2.65,;-4.06,.33,)| Show InChI InChI=1S/C24H22ClN7O2S/c1-12-19(28-23(26)35-12)20-18-21(31(10-13-3-4-13)24(34)30(2)22(18)33)29-32(20)11-14-7-8-27-17-6-5-15(25)9-16(14)17/h5-9,13H,3-4,10-11H2,1-2H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	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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