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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 = 'BDBM50394761'   
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))
BDBM50394761
PNG
(CHEMBL2165873)
Show SMILES Oc1c(I)cc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H8IN3O4S/c17-9-5-8(6-12(14(9)21)20(23)24)7-13-15(22)19-11-4-2-1-3-10(11)18-16(19)25-13/h1-7,21H/b13-7-
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotom...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50394761
PNG
(CHEMBL2165873)
Show SMILES Oc1c(I)cc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H8IN3O4S/c17-9-5-8(6-12(14(9)21)20(23)24)7-13-15(22)19-11-4-2-1-3-10(11)18-16(19)25-13/h1-7,21H/b13-7-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduction in LTB4 production pre-incubated for 20 mins before A23187 additi...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair