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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 = 'BDBM50007047'   
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


(Mus musculus)
BDBM50007047
PNG
(1-[3-(3,4-Difluoro-benzyloxy)-phenyl]-1-thiazol-2-...)
Show SMILES CCC(O)(c1nccs1)c1cccc(OCc2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C19H17F2NO2S/c1-2-19(23,18-22-8-9-25-18)14-4-3-5-15(11-14)24-12-13-6-7-16(20)17(21)10-13/h3-11,23H,2,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 800n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in mouse macrophages.


J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50007047
PNG
(1-[3-(3,4-Difluoro-benzyloxy)-phenyl]-1-thiazol-2-...)
Show SMILES CCC(O)(c1nccs1)c1cccc(OCc2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C19H17F2NO2S/c1-2-19(23,18-22-8-9-25-18)14-4-3-5-15(11-14)24-12-13-6-7-16(20)17(21)10-13/h3-11,23H,2,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood.


J Med Chem 34: 2176-86 (1991)


BindingDB Entry DOI: 10.7270/Q2S46QX6
More data for this
Ligand-Target Pair