BDBM50067884 1-BUTANE BORONIC ACID::Borinic acid derivative::Butyl boronic acid::Butylboronic acid::CHEMBL31962
SMILES: CCCCB(O)O
InChI Key: InChIKey=QPKFVRWIISEVCW-UHFFFAOYSA-N
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 |
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Aminopeptidase N (Homo sapiens (Human)) | BDBM50067884 (1-BUTANE BORONIC ACID | Borinic acid derivative | ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Loyola University Curated by ChEMBL | Assay Description Inhibition of AAP | 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 | |||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50067884 (1-BUTANE BORONIC ACID | Borinic acid derivative | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | >1.00E+5 | 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 | |||||||||||||
N-terminal nucleophile hydrolase (PVdQ) (Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM50067884 (1-BUTANE BORONIC ACID | Borinic acid derivative | ...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 5.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | n/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) Article DOI: 10.1021/bi501086s BindingDB Entry DOI: 10.7270/Q2M907DK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Urease (Glycine max (Soybean)) | BDBM50067884 (1-BUTANE BORONIC ACID | Borinic acid derivative | ...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | 1.50E+6 | -4.00 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
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) Article DOI: 10.3109/14756360903468155 BindingDB Entry DOI: 10.7270/Q2F18XM8 | |||||||||||
More data for this Ligand-Target Pair |