BDBM50067885 4-CARBOXYPHENYLBORONIC ACID::4-Carboxyphenylboronicacid::4-boronobenzoic acid::4-phenylester boronic acid::Boronic acid derivative::CHEMBL82324

SMILES: OB(O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=SIAVMDKGVRXFAX-UHFFFAOYSA-N

Data: 5 KI  1 IC50

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 6 hits for monomerid = 50067885   

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)	BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) Show SMILES OB(O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) Show SMILES OB(O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.90E+3	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)
Subtilisin (Bacillus lentus)	BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) Show SMILES OB(O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article	8.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
					More data for this Ligand-Target Pair
Subtilisin (Bacillus lentus)	BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) Show SMILES OB(O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article	8.47E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
					More data for this Ligand-Target Pair
Subtilisin (Bacillus lentus)	BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) Show SMILES OB(O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article	2.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
					More data for this Ligand-Target Pair
Succinyl-diaminopimelate desuccinylase (Haemophilus influenzae)	BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) Show SMILES OB(O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Loyola University Curated by ChEMBL					Assay Description Inhibition of Haemophilus influenzae recombinant DapE				Bioorg Med Chem Lett 19: 6350-2 (2009) Article DOI: 10.1016/j.bmcl.2009.09.077 BindingDB Entry DOI: 10.7270/Q2833T06
					More data for this Ligand-Target Pair