BDBM50115621 (2-(thiophen-2-yl)acetamido)methylboronic acid::Acylglycineboronic acid, 11::CHEMBL320049::N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID::N-dihydroxyBoranylmethyl-2-thiophen-2-yl-acetamide

SMILES: OB(O)CNC(=O)Cc1cccs1

InChI Key: InChIKey=VXAPSUDMBNWYNC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50115621   

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 AmpC (Escherichia coli)	BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) Show SMILES OB(O)CNC(=O)Cc1cccs1 Show InChI InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	PDB Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.				Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) Show SMILES OB(O)CNC(=O)Cc1cccs1 Show InChI InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	PDB PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Staphylococcus aureus)	BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) Show SMILES OB(O)CNC(=O)Cc1cccs1 Show InChI InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.				Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R
					More data for this Ligand-Target Pair