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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50339584'   
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50339584
PNG
(4-(4'-Phenoxy-biphenyl-4-yl)-1-(3-phenyl-propyl)-1...)
Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H25N3O/c1-3-8-23(9-4-1)10-7-21-32-22-29(30-31-32)26-15-13-24(14-16-26)25-17-19-28(20-18-25)33-27-11-5-2-6-12-27/h1-6,8-9,11-20,22H,7,10,21H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils


J Med Chem 54: 1565-75 (2011)


Article DOI: 10.1021/jm101238d
BindingDB Entry DOI: 10.7270/Q2SN098M
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50339584
PNG
(4-(4'-Phenoxy-biphenyl-4-yl)-1-(3-phenyl-propyl)-1...)
Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H25N3O/c1-3-8-23(9-4-1)10-7-21-32-22-29(30-31-32)26-15-13-24(14-16-26)25-17-19-28(20-18-25)33-27-11-5-2-6-12-27/h1-6,8-9,11-20,22H,7,10,21H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay


J Med Chem 54: 1565-75 (2011)


Article DOI: 10.1021/jm101238d
BindingDB Entry DOI: 10.7270/Q2SN098M
More data for this
Ligand-Target Pair