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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 189.2
BDBM23982

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM23982
PNG
(1-(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)ethan...)
Show SMILES CC(=O)C1Cc2ccccc2CC1N
Show InChI InChI=1S/C12H15NO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h2-5,11-12H,6-7,13H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+5n/an/an/an/a8.030



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM23982
PNG
(1-(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)ethan...)
Show SMILES CC(=O)C1Cc2ccccc2CC1N
Show InChI InChI=1S/C12H15NO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h2-5,11-12H,6-7,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+5n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23982
PNG
(1-(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)ethan...)
Show SMILES CC(=O)C1Cc2ccccc2CC1N
Show InChI InChI=1S/C12H15NO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h2-5,11-12H,6-7,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM23982
PNG
(1-(3-amino-1,2,3,4-tetrahydronaphthalen-2-yl)ethan...)
Show SMILES CC(=O)C1Cc2ccccc2CC1N
Show InChI InChI=1S/C12H15NO/c1-8(14)11-6-9-4-2-3-5-10(9)7-12(11)13/h2-5,11-12H,6-7,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/a8.030



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair