Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50221484'   

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))	BDBM50221484 (CHEMBL98456) Show SMILES [H][C@@]1(O[C@H]([C@H](OCCCCCCCC)[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:31| Show InChI InChI=1S/C32H49N5O12/c1-4-5-6-7-8-9-15-46-26-23(45-3)24(48-30(26)37-14-13-21(39)36-32(37)44)25(27(33)41)49-31-22(40)19(38)16-20(47-31)29(43)35-18-12-10-11-17(2)34-28(18)42/h13-14,16-19,22-26,30-31,38,40H,4-12,15H2,1-3H3,(H2,33,41)(H,34,42)(H,35,43)(H,36,39,44)/t17-,18+,19+,22+,23-,24+,25-,26-,30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	215	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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