Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421065'   

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)	BDBM50421065 (CHEMBL2087856) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#C)c(=O)c12)C#N |(-4.86,-12.02,;-3.36,-12.36,;-2.2,-11.35,;-.87,-12.15,;-1.22,-13.65,;-2.76,-13.78,;-3.55,-15.1,;-2.65,-16.34,;-1.11,-16.34,;-.34,-17.68,;-1.11,-19.01,;-.34,-20.34,;1.2,-20.34,;1.97,-18.99,;3.49,-18.99,;4.25,-17.66,;3.48,-16.33,;4.24,-14.99,;1.95,-16.35,;1.2,-17.67,;-3.55,-17.59,;-5.02,-17.11,;-6.35,-17.87,;-6.35,-19.41,;-7.68,-20.18,;-9.22,-20.19,;-8.45,-21.53,;-7.68,-17.11,;-9.01,-17.88,;-7.68,-15.57,;-9.01,-14.81,;-9.02,-13.27,;-9.03,-11.72,;-6.35,-14.79,;-6.35,-13.25,;-5.02,-15.57,;.54,-11.55,;1.95,-10.94,)| Show InChI InChI=1S/C28H22ClN7O2/c1-3-10-34-27(37)24-25(23-11-18(13-30)14-33(23)2)36(32-26(24)35(28(34)38)15-17-4-5-17)16-19-8-9-31-22-7-6-20(29)12-21(19)22/h1,6-9,11-12,14,17H,4-5,10,15-16H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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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