Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50421054'   

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)	BDBM50421054 (CHEMBL2087845) Show SMILES Cc1[nH]cnc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12 |(-4.07,-11.02,;-2.57,-11.37,;-1.41,-10.36,;-.09,-11.15,;-.44,-12.65,;-1.97,-12.79,;-2.77,-14.1,;-1.86,-15.35,;-.32,-15.35,;.45,-16.68,;-.32,-18.01,;.45,-19.35,;1.99,-19.35,;2.75,-18,;4.28,-17.99,;5.04,-16.67,;4.26,-15.34,;5.02,-14,;2.74,-15.35,;1.99,-16.68,;-2.77,-16.6,;-4.23,-16.12,;-5.56,-16.88,;-5.56,-18.42,;-6.9,-19.19,;-8.44,-19.2,;-7.67,-20.53,;-6.89,-16.12,;-8.23,-16.89,;-6.89,-14.58,;-8.23,-13.81,;-5.56,-13.8,;-5.56,-12.26,;-4.23,-14.58,)| Show InChI InChI=1S/C24H22ClN7O2/c1-13-20(28-12-27-13)21-19-22(31(10-14-3-4-14)24(34)30(2)23(19)33)29-32(21)11-15-7-8-26-18-6-5-16(25)9-17(15)18/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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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