Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50221509'   

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))	BDBM50221509 (CHEMBL96062) Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCCCCC)[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]1CCC[C@@H](C)NC1=O)C(N)=O |c:34| Show InChI InChI=1S/C34H51N5O13/c1-4-5-6-7-8-9-10-14-23(42)50-28-25(48-3)26(51-32(28)39-16-15-22(41)38-34(39)47)27(29(35)44)52-33-24(43)20(40)17-21(49-33)31(46)37-19-13-11-12-18(2)36-30(19)45/h15-20,24-28,32-33,40,43H,4-14H2,1-3H3,(H2,35,44)(H,36,45)(H,37,46)(H,38,41,47)/t18-,19+,20+,24+,25-,26+,27-,28-,32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	745	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration required against Translocase I				Bioorg Med Chem Lett 13: 2833-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0JP8
					More data for this Ligand-Target Pair