BDBM50365064 CHEMBL1951074

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

InChI Key: InChIKey=UKDSSZLSAYKMKY-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 = 50365064   

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)	BDBM50365064 (CHEMBL1951074) Show SMILES COc1cc(OC)c(cc1NC(=S)NCC(O)=O)S(=O)(=O)N1C(C)CCc2ccccc12 Show InChI InChI=1S/C21H25N3O6S2/c1-13-8-9-14-6-4-5-7-16(14)24(13)32(27,28)19-10-15(17(29-2)11-18(19)30-3)23-21(31)22-12-20(25)26/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26)(H2,22,23,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	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
					More data for this Ligand-Target Pair