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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.3
BDBM50505153

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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 A-4 hydrolase


(Homo sapiens (Human))
BDBM50505153
PNG
(CHEMBL4543986)
Show SMILES C[C@H](N)P(O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C14H26N3O6P/c1-9(12(19)20)16-13(21)14(8-24(22,23)10(2)15)4-6-17(7-5-14)11(3)18/h9-10H,4-8,15H2,1-3H3,(H,16,21)(H,19,20)(H,22,23)/t9-,10+/m0/s1
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PC cid
PC sid
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Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Wroc?aw University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4H by L-(4-benzoyl)phenylalanyl-beta-naphthylamide fluorigenic substrate by fluorescence based assay


Bioorg Med Chem Lett 29: 1031-1042 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.034
BindingDB Entry DOI: 10.7270/Q2DR2ZSK
More data for this
Ligand-Target Pair