BDBM50116538 3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-propionic acid; hydrochloride::CHEMBL112671::CHEMBL543405::SC-57461A

SMILES C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O

InChI Key InChIKey=HSXNVULMYZGNGF-UHFFFAOYSA-N

Data  1 KI  4 IC50  3 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50116538   

TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataIC50: 49nMAssay Description:Inhibition of human whole blood LTB-4 production (Leukotriene B-4).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of leukotriene A4 hydrolase in human recombinant assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human leukotriene A4 hydrolase (LTA-4).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataKd:  350nMAssay Description:Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 35 degC by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/14/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataKd:  60nMAssay Description:Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 15 degC by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/14/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataIC50: 6nMAssay Description:Inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using L-arginine-7-amino-4-Methylcoumarine as substrate pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/14/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataKd:  290nMAssay Description:Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 25 degC by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/14/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLeukotriene A-4 hydrolase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50116538(SC-57461A | CHEMBL543405 | CHEMBL112671 | 3-{[3-(4...)
Affinity DataKi:  3nMAssay Description:Non-competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/14/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)