BDBM50365094 CHEMBL1951183

SMILES: COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CO)CC1

InChI Key: InChIKey=XXSUTSODZMQCST-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 = 50365094   

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)	BDBM50365094 (CHEMBL1951183) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CO)CC1 Show InChI InChI=1S/C25H33N3O8S/c1-35-21-14-22(36-2)23(13-19(21)27-24(30)7-8-25(31)32)37(33,34)26-15-18-5-3-4-6-20(18)28-11-9-17(16-29)10-12-28/h3-6,13-14,17,26,29H,7-12,15-16H2,1-2H3,(H,27,30)(H,31,32)	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+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)	BDBM50365094 (CHEMBL1951183) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CO)CC1 Show InChI InChI=1S/C25H33N3O8S/c1-35-21-14-22(36-2)23(13-19(21)27-24(30)7-8-25(31)32)37(33,34)26-15-18-5-3-4-6-20(18)28-11-9-17(16-29)10-12-28/h3-6,13-14,17,26,29H,7-12,15-16H2,1-2H3,(H,27,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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)	BDBM50365094 (CHEMBL1951183) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(CO)CC1 Show InChI InChI=1S/C25H33N3O8S/c1-35-21-14-22(36-2)23(13-19(21)27-24(30)7-8-25(31)32)37(33,34)26-15-18-5-3-4-6-20(18)28-11-9-17(16-29)10-12-28/h3-6,13-14,17,26,29H,7-12,15-16H2,1-2H3,(H,27,30)(H,31,32)	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+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