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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50341267'   
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))
BDBM50341267
PNG
(5-(4-tert-butylbenzylidene)-2-phenylthiazol-4(5H)-...)
Show SMILES CC(C)(C)c1ccc(\C=C2/SC(=NC2=O)c2ccccc2)cc1 |c:11|
Show InChI InChI=1S/C20H19NOS/c1-20(2,3)16-11-9-14(10-12-16)13-17-18(22)21-19(23-17)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13-
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of LTB4 production preincubated for 15 mins measured after 10 mins by HPLC me...


J Med Chem 54: 1943-7 (2011)

Checked by Author
Article DOI: 10.1021/jm101165z
BindingDB Entry DOI: 10.7270/Q23T9J70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50341267
PNG
(5-(4-tert-butylbenzylidene)-2-phenylthiazol-4(5H)-...)
Show SMILES CC(C)(C)c1ccc(\C=C2/SC(=NC2=O)c2ccccc2)cc1 |c:11|
Show InChI InChI=1S/C20H19NOS/c1-20(2,3)16-11-9-14(10-12-16)13-17-18(22)21-19(23-17)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13-
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production pre...


J Med Chem 54: 1943-7 (2011)

Checked by Author
Article DOI: 10.1021/jm101165z
BindingDB Entry DOI: 10.7270/Q23T9J70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50341267
PNG
(5-(4-tert-butylbenzylidene)-2-phenylthiazol-4(5H)-...)
Show SMILES CC(C)(C)c1ccc(\C=C2/SC(=NC2=O)c2ccccc2)cc1 |c:11|
Show InChI InChI=1S/C20H19NOS/c1-20(2,3)16-11-9-14(10-12-16)13-17-18(22)21-19(23-17)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13-
PDB
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Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production preincubated for 15 mins measured after ...


J Med Chem 54: 1943-7 (2011)

Checked by Author
Article DOI: 10.1021/jm101165z
BindingDB Entry DOI: 10.7270/Q23T9J70
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50341267
PNG
(5-(4-tert-butylbenzylidene)-2-phenylthiazol-4(5H)-...)
Show SMILES CC(C)(C)c1ccc(\C=C2/SC(=NC2=O)c2ccccc2)cc1 |c:11|
Show InChI InChI=1S/C20H19NOS/c1-20(2,3)16-11-9-14(10-12-16)13-17-18(22)21-19(23-17)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic a...


J Med Chem 54: 1943-7 (2011)

Checked by Author
Article DOI: 10.1021/jm101165z
BindingDB Entry DOI: 10.7270/Q23T9J70
More data for this
Ligand-Target Pair