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PDB code 3FH8

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 26n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 26n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of leukotriene A4 hydrolase in human recombinant assay


Bioorg Med Chem Lett 12: 3383-6 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human leukotriene A4 hydrolase.


Bioorg Med Chem Lett 13: 1137-9 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50085279
PNG
(1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine | 1-[2-...)
Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
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PC sid
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output