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PDB code 3CHO

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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

  (610/610 = 100%)
(Homo sapiens (human))
BDBM24243
PNG
(2-amino-N-[4-(benzyloxy)phenyl]acetamide | Amino a...)
Show SMILES NCC(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
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Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin) by whole blood assay


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

  (610/610 = 100%)
(Homo sapiens (human))
BDBM24243
PNG
(2-amino-N-[4-(benzyloxy)phenyl]acetamide | Amino a...)
Show SMILES NCC(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
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PubMed
n/an/a 280n/an/an/an/a7.522



Berlex Biosciences



Assay Description
Compound potency against the peptidase activity of LTA4 hydrolase was measured by inhibition of the hydrolysis of L-alanine-p-nitroanilide to L-alani...


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

  (610/610 = 100%)
(Homo sapiens (human))
BDBM24243
PNG
(2-amino-N-[4-(benzyloxy)phenyl]acetamide | Amino a...)
Show SMILES NCC(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
PDB
MMDB

Reactome pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
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PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin) by hydrolase assay


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