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BDBM50067884 1-BUTANE BORONIC ACID::Borinic acid derivative::Butyl boronic acid::Butylboronic acid::CHEMBL31962

SMILES: CCCCB(O)O

InChI Key: InChIKey=QPKFVRWIISEVCW-UHFFFAOYSA-N

Data: 4 KI

PDB links: 4 PDB IDs match 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 4 hits for monomerid = 50067884   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Aminopeptidase N


(Homo sapiens)
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
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Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of AAP


Bioorg Med Chem Lett 19: 6350-2 (2009)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
PDB
MMDB

KEGG

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CHEMBL
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PubMed
>1.00E+5n/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
N-terminal nucleophile hydrolase (PVdQ)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
PDB

UniProtKB/TrEMBL

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PubMed
5.50E+5n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Briefly, stock solutions of the colorimetric PvdQ substrate (4-nitrophenyl dodecanoate) were prepared in methanol and stock solutions of each n-alkyl...


Biochemistry 53: 6679-86 (2014)

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


(Glycine max (Soybean))
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
PDB

UniProtKB/TrEMBL

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Article
PubMed
1.50E+6n/an/an/an/an/an/an/an/a



Banaras Hindu University



Assay Description
The inhibition studies of soybean urease were initiated with boric acid and boronic acids (butylboronic acid, 4-bromophenylboronic acid, and phenylbo...


J Enzyme Inhib Med Chem 25: 646-52 (2010)

More data for this
Ligand-Target Pair