Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase' and Ligand = 'BDBM50046824'   

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
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli UMNK88 (Enterobacteria))	BDBM50046824 (CHEMBL3310458) Show SMILES Cc1cc(\C=C2\C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H18BrN3O7/c1-12-7-14(13(2)28(12)19-9-15(23(32)33)8-16(10-19)24(34)35)11-20-21(30)27-25(36)29(22(20)31)18-5-3-17(26)4-6-18/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b20-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay				Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ
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