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PDB code 3FUK

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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 A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (Human))
BDBM50294168
PNG
(1-(2-(1H-indol-5-yloxy)ethyl)piperidine-4-carboxyl...)
Show SMILES OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 9.66E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase

  (611/611 = 100%)
(Homo sapiens (Human))
BDBM50294168
PNG
(1-(2-(1H-indol-5-yloxy)ethyl)piperidine-4-carboxyl...)
Show SMILES OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 1.49E+6n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
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