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BDBM50067910 4,4'-Bis-dihydroxyboranyl-biphenyl::4,4'-biphenyldiboronic acid::CHEMBL109227::biphenyl-4,4'-diyldiboronic acid

SMILES: OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O

InChI Key: InChIKey=SLHKDOGTVUCXKX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50067910   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067910
PNG
(4,4'-Bis-dihydroxyboranyl-biphenyl | 4,4'-biphenyl...)
Show SMILES OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
Show InChI InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067910
PNG
(4,4'-Bis-dihydroxyboranyl-biphenyl | 4,4'-biphenyl...)
Show SMILES OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
Show InChI InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)