Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50221401'   

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
Phospho-N-acetylmuramoyl-pentapeptide-transferase (Escherichia coli (strain K12))	BDBM50221401 (CHEMBL420080) Show SMILES [H][C@@]1(O[C@H]([C@H](O)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NC)C(N)=O |c:23| Show InChI InChI=1S/C18H24N4O11/c1-20-15(28)7-5-6(23)9(25)17(31-7)33-13(14(19)27)12-11(30-2)10(26)16(32-12)22-4-3-8(24)21-18(22)29/h3-6,9-13,16-17,23,25-26H,1-2H3,(H2,19,27)(H,20,28)(H,21,24,29)/t6-,9-,10+,11-,12-,13+,16+,17+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	381	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against translocase I				Bioorg Med Chem Lett 13: 2829-32 (2003) BindingDB Entry DOI: 10.7270/Q2TD9WR7
					More data for this Ligand-Target Pair