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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 = 'BDBM50386154'   
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))
BDBM50386154
PNG
(CHEMBL2042361)
Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(H,39,40)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...


Eur J Med Chem 54: 311-23 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.014
BindingDB Entry DOI: 10.7270/Q21J9BTR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50386154
PNG
(CHEMBL2042361)
Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(H,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...


Eur J Med Chem 54: 311-23 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.014
BindingDB Entry DOI: 10.7270/Q21J9BTR
More data for this
Ligand-Target Pair