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PDB code 3FUD

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 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))
BDBM50294171
PNG
(CHEMBL549343 | N-methyl-1-(2-(thiophen-2-yl)phenyl...)
Show SMILES CNCc1ccccc1-c1cccs1
Show InChI InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 1.08E+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


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

  (611/611 = 100%)
(Homo sapiens (human))
BDBM50294171
PNG
(CHEMBL549343 | N-methyl-1-(2-(thiophen-2-yl)phenyl...)
Show SMILES CNCc1ccccc1-c1cccs1
Show InChI InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a>2.00E+6n/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...


Citation and Details
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