Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421052'   

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)	BDBM50421052 (CHEMBL2087843) Show SMILES Cc1nc(N)sc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(13.51,4.25,;15.02,3.9,;16.18,4.91,;17.5,4.12,;18.92,4.72,;17.15,2.62,;15.62,2.48,;14.82,1.17,;15.73,-.08,;17.27,-.08,;18.04,-1.41,;17.27,-2.74,;18.03,-4.07,;19.58,-4.08,;20.34,-2.73,;21.87,-2.72,;22.63,-1.39,;21.85,-.07,;22.61,1.27,;20.33,-.08,;19.57,-1.41,;14.82,-1.33,;13.35,-.85,;12.02,-1.61,;12.02,-3.15,;10.69,-3.92,;9.15,-3.93,;9.92,-5.26,;10.7,-.85,;9.36,-1.62,;10.7,.69,;9.36,1.46,;12.02,1.47,;12.02,3.01,;13.35,.69,)| Show InChI InChI=1S/C24H22ClN7O2S/c1-12-20(35-23(26)28-12)19-18-21(31(10-13-3-4-13)24(34)30(2)22(18)33)29-32(19)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	740	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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