BDBM50225381 CHEMBL235293::pinacol5-{[4-(1-hydroxy-2,2,2-trifluoro-1-trifluoromethylethyl)-phenylamino]methyl}benzo[b]thiophen-2-ylboronate
SMILES: OB(O)c1cc2cc(CNc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)ccc2s1
InChI Key: InChIKey=AGZMSTRZJHCCDI-UHFFFAOYSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-lactamase (TEM-1) (Escherichia coli) | BDBM50225381 (CHEMBL235293 | pinacol5-{[4-(1-hydroxy-2,2,2-trifl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition of Escherichia coli beta-lactamase | J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5 | |||||||||||
More data for this Ligand-Target Pair |