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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 = 'BDBM50284507'   
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))
BDBM50284507
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)
Show SMILES ONC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN4O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(27)26-28/h1-12,28H,(H,24,25)(H,26,27)
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Article
n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against interleukin-1(IL-1) synthesis, using intact human monocytes


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50284507
PNG
(4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-...)
Show SMILES ONC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN4O2/c22-17-7-5-13(6-8-17)18-19(14-9-11-23-12-10-14)25-20(24-18)15-1-3-16(4-2-15)21(27)26-28/h1-12,28H,(H,24,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells


Bioorg Med Chem Lett 5: 1171-1176 (1995)


Article DOI: 10.1016/0960-894X(95)00189-Z
BindingDB Entry DOI: 10.7270/Q28S4PV1
More data for this
Ligand-Target Pair