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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50058538   
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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50058538
PNG
(CHEMBL60337 | N-hydroxy-N-[1-(4'-methoxy-1,1'-biph...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(C)N(O)C(N)=O
Show InChI InChI=1S/C16H18N2O3/c1-11(18(20)16(17)19)12-3-5-13(6-4-12)14-7-9-15(21-2)10-8-14/h3-11,20H,1-2H3,(H2,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase on rat basophil leukemia cell line lysate (RBL-1 2H3 subline) by measuring 5-HETE production


J Med Chem 40: 1955-68 (1997)


Article DOI: 10.1021/jm9700474
BindingDB Entry DOI: 10.7270/Q2NV9JWT
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50058538
PNG
(CHEMBL60337 | N-hydroxy-N-[1-(4'-methoxy-1,1'-biph...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(C)N(O)C(N)=O
Show InChI InChI=1S/C16H18N2O3/c1-11(18(20)16(17)19)12-3-5-13(6-4-12)14-7-9-15(21-2)10-8-14/h3-11,20H,1-2H3,(H2,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase (5-LO) measured as LTB4 production in human whole blood stimulated with calcium ionophore (A23187).


J Med Chem 40: 1955-68 (1997)


Article DOI: 10.1021/jm9700474
BindingDB Entry DOI: 10.7270/Q2NV9JWT
More data for this
Ligand-Target Pair