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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 322.4
BDBM23980

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
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM23980
PNG
((3Z)-3-{[(5-phenylpentyl)oxy]imino}-1,2,3,4-tetrah...)
Show SMILES NC1Cc2ccccc2C\C1=N\OCCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-20-15-18-12-6-7-13-19(18)16-21(20)23-24-14-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,20H,2,5,8,11,14-16,22H2/b23-21-
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3.00E+4n/an/an/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))
BDBM23980
PNG
((3Z)-3-{[(5-phenylpentyl)oxy]imino}-1,2,3,4-tetrah...)
Show SMILES NC1Cc2ccccc2C\C1=N\OCCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-20-15-18-12-6-7-13-19(18)16-21(20)23-24-14-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,20H,2,5,8,11,14-16,22H2/b23-21-
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PubMed
8.00E+4n/an/an/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))
BDBM23980
PNG
((3Z)-3-{[(5-phenylpentyl)oxy]imino}-1,2,3,4-tetrah...)
Show SMILES NC1Cc2ccccc2C\C1=N\OCCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-20-15-18-12-6-7-13-19(18)16-21(20)23-24-14-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,20H,2,5,8,11,14-16,22H2/b23-21-
PDB
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Article
PubMed
n/an/a>1.00E+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
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM23980
PNG
((3Z)-3-{[(5-phenylpentyl)oxy]imino}-1,2,3,4-tetrah...)
Show SMILES NC1Cc2ccccc2C\C1=N\OCCCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O/c22-20-15-18-12-6-7-13-19(18)16-21(20)23-24-14-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13,20H,2,5,8,11,14-16,22H2/b23-21-
PDB
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PC cid
PC sid
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Article
PubMed
n/an/a 1.30E+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