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PDB code 3CHQ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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))
BDBM24256
PNG
((2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}but...)
Show SMILES N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
Show InChI InChI=1/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/s2
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PC sid
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Article
PubMed
n/an/a 20n/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)

Similar 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))
BDBM24263
PNG
(4-amino-N-[4-(benzyloxy)phenyl]butanamide | Modifi...)
Show SMILES NCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)
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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 61n/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))
BDBM24257
PNG
((2R)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}but...)
Show SMILES N[C@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
Show InChI InChI=1/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/s2
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.60E+3n/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
Leukotriene A4 hydrolase

  (610/610 = 100%)
(Homo sapiens (human))
BDBM24258
PNG
(4-{[4-(benzyloxy)phenyl]carbamoyl}butanoic acid | ...)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H19NO4/c20-17(7-4-8-18(21)22)19-15-9-11-16(12-10-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)(H,21,22)
PDB
MMDB

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Purchase

PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a>1.80E+4n/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

Search BindingMOAD for More Affinity Data:

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