Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50221483'   

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))	BDBM50221483 (CHEMBL95124) Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O |c:33| Show InChI InChI=1S/C32H47N5O13/c1-3-4-5-6-7-8-12-21(40)48-26-23(46-2)24(49-30(26)37-15-13-20(39)36-32(37)45)25(27(33)42)50-31-22(41)18(38)16-19(47-31)29(44)35-17-11-9-10-14-34-28(17)43/h13,15-18,22-26,30-31,38,41H,3-12,14H2,1-2H3,(H2,33,42)(H,34,43)(H,35,44)(H,36,39,45)/t17-,18-,22-,23+,24-,25+,26+,30+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against translocase-I				Bioorg Med Chem Lett 13: 2833-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0JP8
					More data for this Ligand-Target Pair