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BDBM50251454 4-((4-(4-phenoxyphenylamino)piperidin-1-yl)methyl)benzoic acid::CHEMBL481860

SMILES: OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1

InChI Key: InChIKey=ICSHSIDUJOXXOT-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50251454   
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 A4 hydrolase


(Homo sapiens (Human))
BDBM50251454
PNG
(4-((4-(4-phenoxyphenylamino)piperidin-1-yl)methyl)...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-25(29)20-8-6-19(7-9-20)18-27-16-14-22(15-17-27)26-21-10-12-24(13-11-21)30-23-4-2-1-3-5-23/h1-13,22,26H,14-18H2,(H,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/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 A4 hydrolase


(Homo sapiens (Human))
BDBM50251454
PNG
(4-((4-(4-phenoxyphenylamino)piperidin-1-yl)methyl)...)
Show SMILES OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-25(29)20-8-6-19(7-9-20)18-27-16-14-22(15-17-27)26-21-10-12-24(13-11-21)30-23-4-2-1-3-5-23/h1-13,22,26H,14-18H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/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