BDBM50365081 CHEMBL1951170

SMILES: COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)C

InChI Key: InChIKey=RUKCRMPDKINKRM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50365081   

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 (Escherichia coli)	BDBM50365081 (CHEMBL1951170) Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)C Show InChI InChI=1S/C12H18N2O5S/c1-8(15)13-9-6-12(20(16,17)14(2)3)11(19-5)7-10(9)18-4/h6-7H,1-5H3,(H,13,15)	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
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Streptococcus pneumoniae)	BDBM50365081 (CHEMBL1951170) Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)C Show InChI InChI=1S/C12H18N2O5S/c1-8(15)13-9-6-12(20(16,17)14(2)3)11(19-5)7-10(9)18-4/h6-7H,1-5H3,(H,13,15)	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
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50365081 (CHEMBL1951170) Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)N(C)C Show InChI InChI=1S/C12H18N2O5S/c1-8(15)13-9-6-12(20(16,17)14(2)3)11(19-5)7-10(9)18-4/h6-7H,1-5H3,(H,13,15)	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
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate				Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55
					More data for this Ligand-Target Pair