BDBM50225378 CHEMBL235073::pinacol 5-diformylaminomethylbenzo[b]thiophen-2-ylboronate::{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID

SMILES: OB(O)c1cc2cc(CN(C=O)C=O)ccc2s1

InChI Key: InChIKey=GVTZPLCQJFQOTQ-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50225378   

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)	BDBM50225378 (CHEMBL235073 | pinacol 5-diformylaminomethylbenzo[...) Show SMILES OB(O)c1cc2cc(CN(C=O)C=O)ccc2s1 Show InChI InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	37	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