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PubMed code 26638042

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus)
BDBM50135232
PNG
(CHEMBL3745881)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(SCCCNC(=O)\C=C\c2ccc(O)c(O)c2)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN4O5S2/c1-39(36,37)22-11-5-19(6-12-22)26-30-27(31-32(26)21-9-7-20(28)8-10-21)38-16-2-15-29-25(35)14-4-18-3-13-23(33)24(34)17-18/h3-14,17,33-34H,2,15-16H2,1H3,(H,29,35)/b14-4+
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Article
PubMed
n/an/a 710n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in Sprague-Dawley rat leukocytes assessed as A23187 stimulated LTB4 production pretreated for 30 mins followed by addition of A23...


Eur J Med Chem 108: 89-103 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.013
BindingDB Entry DOI: 10.7270/Q2X63PSS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50135234
PNG
(CHEMBL3747060)
Show SMILES COc1cc(\C=C\C(=O)OCCSc2nc(-c3ccc(cc3)S(C)(=O)=O)n(n2)-c2ccc(F)cc2)ccc1OC(C)=O
Show InChI InChI=1S/C29H26FN3O7S2/c1-19(34)40-25-14-4-20(18-26(25)38-2)5-15-27(35)39-16-17-41-29-31-28(21-6-12-24(13-7-21)42(3,36)37)33(32-29)23-10-8-22(30)9-11-23/h4-15,18H,16-17H2,1-3H3/b15-5+
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Article
PubMed
n/an/a 920n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in Sprague-Dawley rat leukocytes assessed as A23187 stimulated LTB4 production pretreated for 30 mins followed by addition of A23...


Eur J Med Chem 108: 89-103 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.013
BindingDB Entry DOI: 10.7270/Q2X63PSS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50135233
PNG
(CHEMBL3746385)
Show SMILES COc1cc(\C=C\C(=O)OCCSc2nc(-c3ccc(cc3)S(C)(=O)=O)n(n2)-c2ccc(Br)cc2)ccc1OC(C)=O
Show InChI InChI=1S/C29H26BrN3O7S2/c1-19(34)40-25-14-4-20(18-26(25)38-2)5-15-27(35)39-16-17-41-29-31-28(21-6-12-24(13-7-21)42(3,36)37)33(32-29)23-10-8-22(30)9-11-23/h4-15,18H,16-17H2,1-3H3/b15-5+
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UniChem

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Article
PubMed
n/an/a 940n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in Sprague-Dawley rat leukocytes assessed as A23187 stimulated LTB4 production pretreated for 30 mins followed by addition of A23...


Eur J Med Chem 108: 89-103 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.013
BindingDB Entry DOI: 10.7270/Q2X63PSS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50135231
PNG
(CHEMBL3746350)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCCCSc2nc(-c3ccc(cc3)S(N)(=O)=O)n(n2)-c2ccccc2)cc1OC(C)=O
Show InChI InChI=1S/C30H29N5O7S2/c1-20(36)41-26-15-9-22(19-27(26)42-21(2)37)10-16-28(38)32-17-6-18-43-30-33-29(35(34-30)24-7-4-3-5-8-24)23-11-13-25(14-12-23)44(31,39)40/h3-5,7-16,19H,6,17-18H2,1-2H3,(H,32,38)(H2,31,39,40)/b16-10+
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Article
PubMed
n/an/a 970n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in Sprague-Dawley rat leukocytes assessed as A23187 stimulated LTB4 production pretreated for 30 mins followed by addition of A23...


Eur J Med Chem 108: 89-103 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.013
BindingDB Entry DOI: 10.7270/Q2X63PSS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50135229
PNG
(CHEMBL3746182)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)NCCSc2nc(-c3ccc(cc3)S(N)(=O)=O)n(n2)-c2ccc(Br)cc2)cc1OC(C)=O
Show InChI InChI=1S/C29H26BrN5O7S2/c1-18(36)41-25-13-3-20(17-26(25)42-19(2)37)4-14-27(38)32-15-16-43-29-33-28(21-5-11-24(12-6-21)44(31,39)40)35(34-29)23-9-7-22(30)8-10-23/h3-14,17H,15-16H2,1-2H3,(H,32,38)(H2,31,39,40)/b14-4+
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 990n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in Sprague-Dawley rat leukocytes assessed as A23187 stimulated LTB4 production pretreated for 30 mins followed by addition of A23...


Eur J Med Chem 108: 89-103 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.013
BindingDB Entry DOI: 10.7270/Q2X63PSS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%