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SMILES: OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3)cc2)cc1

InChI Key: InChIKey=SOBBPXNTLJAPSJ-BKFWDETESA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50251745   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251745
PNG
(CHEMBL520596 | endo-4-((3-(4-phenoxyphenylamino)-8...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H28N2O3/c30-27(31)20-8-6-19(7-9-20)18-29-23-12-13-24(29)17-22(16-23)28-21-10-14-26(15-11-21)32-25-4-2-1-3-5-25/h1-11,14-15,22-24,28H,12-13,16-18H2,(H,30,31)/t22-,23+,24-
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PC cid
PC sid
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase in human whole blood


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50251745
PNG
(CHEMBL520596 | endo-4-((3-(4-phenoxyphenylamino)-8...)
Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
Show InChI InChI=1S/C27H28N2O3/c30-27(31)20-8-6-19(7-9-20)18-29-23-12-13-24(29)17-22(16-23)28-21-10-14-26(15-11-21)32-25-4-2-1-3-5-25/h1-11,14-15,22-24,28H,12-13,16-18H2,(H,30,31)/t22-,23+,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of LTA4 hydrolase (unknown origin)


Bioorg Med Chem Lett 18: 3895-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.041
BindingDB Entry DOI: 10.7270/Q2GQ6XK8
More data for this
Ligand-Target Pair