Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 2x' and Ligand = 'BDBM50300665'   

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
Penicillin-binding protein 2x (Streptococcus pneumoniae)	BDBM50300665 (5-boronothiophene-2-carboxylic acid | CHEMBL573906) Show SMILES OB(O)c1ccc(s1)C(O)=O Show InChI InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate mixture of (R)-[2-(benzoyl...				J Med Chem 52: 6097-106 (2009) Article DOI: 10.1021/jm9009718 BindingDB Entry DOI: 10.7270/Q2G73DSS
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