Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional protein GlmU' and Ligand = 'BDBM50075301'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional protein GlmU (Escherichia coli)	BDBM50075301 (CHEMBL2207600) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C26H28N2O7S/c1-17-5-9-19(10-6-17)28(20-11-7-18(2)8-12-20)36(32,33)24-15-21(22(34-3)16-23(24)35-4)27-25(29)13-14-26(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,27,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 (Escherichia coli)	BDBM50075301 (CHEMBL2207600) Show SMILES COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C26H28N2O7S/c1-17-5-9-19(10-6-17)28(20-11-7-18(2)8-12-20)36(32,33)24-15-21(22(34-3)16-23(24)35-4)27-25(29)13-14-26(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,27,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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