BDBM50365071 CHEMBL1951160

SMILES: COc1cc(OC)c(cc1NC(=O)COc1ccc(cc1)C(C)=O)S(=O)(=O)N1C(C)CCc2ccccc12

InChI Key: InChIKey=IWPLROZJLDRAMZ-UHFFFAOYSA-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 = 50365071   

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
Bifunctional protein GlmU (Streptococcus pneumoniae)	BDBM50365071 (CHEMBL1951160) Show SMILES COc1cc(OC)c(cc1NC(=O)COc1ccc(cc1)C(C)=O)S(=O)(=O)N1C(C)CCc2ccccc12 Show InChI InChI=1S/C28H30N2O7S/c1-18-9-10-21-7-5-6-8-24(21)30(18)38(33,34)27-15-23(25(35-3)16-26(27)36-4)29-28(32)17-37-22-13-11-20(12-14-22)19(2)31/h5-8,11-16,18H,9-10,17H2,1-4H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's meth...				Bioorg Med Chem Lett 22: 1510-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.016 BindingDB Entry DOI: 10.7270/Q23J3DF0
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