BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50443820'   
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))
BDBM50443820
PNG
(CHEMBL3094420)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)n1)C(O)=O
Show InChI InChI=1S/C22H22ClF3N4O2S2/c1-2-3-4-5-6-16(19(31)32)34-21-28-17(23)11-18(30-21)29-20-27-15(12-33-20)13-7-9-14(10-8-13)22(24,25)26/h7-12,16H,2-6H2,1H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...


J Med Chem 56: 9031-44 (2013)


Article DOI: 10.1021/jm401557w
BindingDB Entry DOI: 10.7270/Q24B32R4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50443820
PNG
(CHEMBL3094420)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)n1)C(O)=O
Show InChI InChI=1S/C22H22ClF3N4O2S2/c1-2-3-4-5-6-16(19(31)32)34-21-28-17(23)11-18(30-21)29-20-27-15(12-33-20)13-7-9-14(10-8-13)22(24,25)26/h7-12,16H,2-6H2,1H3,(H,31,32)(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...


J Med Chem 56: 9031-44 (2013)


Article DOI: 10.1021/jm401557w
BindingDB Entry DOI: 10.7270/Q24B32R4
More data for this
Ligand-Target Pair