BDBM50365089 CHEMBL1951178

SMILES: COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)NCc1ccccc1Br

InChI Key: InChIKey=HEIRPWORKWJGJB-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 = 50365089   

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)	BDBM50365089 (CHEMBL1951178) Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)NCc1ccccc1Br Show InChI InChI=1S/C17H19BrN2O5S/c1-11(21)20-14-8-17(16(25-3)9-15(14)24-2)26(22,23)19-10-12-6-4-5-7-13(12)18/h4-9,19H,10H2,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	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)	BDBM50365089 (CHEMBL1951178) Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)NCc1ccccc1Br Show InChI InChI=1S/C17H19BrN2O5S/c1-11(21)20-14-8-17(16(25-3)9-15(14)24-2)26(22,23)19-10-12-6-4-5-7-13(12)18/h4-9,19H,10H2,1-3H3,(H,20,21)	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)	BDBM50365089 (CHEMBL1951178) Show SMILES COc1cc(OC)c(cc1NC(C)=O)S(=O)(=O)NCc1ccccc1Br Show InChI InChI=1S/C17H19BrN2O5S/c1-11(21)20-14-8-17(16(25-3)9-15(14)24-2)26(22,23)19-10-12-6-4-5-7-13(12)18/h4-9,19H,10H2,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	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