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)	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
Aminopeptidase N (Homo sapiens (Human))	BDBM50067884 (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 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 | ...) 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 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 | ...) 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 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 | ...) 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 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