BDBM50221501 CHEMBL315624

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)Nc1ccccc1)C(N)=O

InChI Key: InChIKey=CGJIIRSASLXYFJ-ZTPTXFDLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50221501   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50221501 (CHEMBL315624) 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)Nc1ccccc1)C(N)=O |c:33| Show InChI InChI=1S/C32H42N4O12/c1-3-4-5-6-7-11-14-22(39)46-27-24(44-2)25(47-30(27)36-16-15-21(38)35-32(36)43)26(28(33)41)48-31-23(40)19(37)17-20(45-31)29(42)34-18-12-9-8-10-13-18/h8-10,12-13,15-17,19,23-27,30-31,37,40H,3-7,11,14H2,1-2H3,(H2,33,41)(H,34,42)(H,35,38,43)/t19-,23-,24+,25-,26+,27+,30+,31+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	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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