Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50221507'   

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))	BDBM50221507 (CHEMBL97545) Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCCCCCCCCC)[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:38| Show InChI InChI=1S/C38H59N5O13/c1-4-5-6-7-8-9-10-11-12-13-14-18-27(46)54-32-29(52-3)30(55-36(32)43-20-19-26(45)42-38(43)51)31(33(39)48)56-37-28(47)24(44)21-25(53-37)35(50)41-23-17-15-16-22(2)40-34(23)49/h19-24,28-32,36-37,44,47H,4-18H2,1-3H3,(H2,39,48)(H,40,49)(H,41,50)(H,42,45,51)/t22-,23+,24+,28+,29-,30+,31-,32-,36-,37-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.66E+3	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
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