Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydropteroate synthase' and Ligand = 'BDBM50031526'   

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
Dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031526 (CHEMBL3359158) Show SMILES Nc1nc2[nH]c(SCC(=O)c3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
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