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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50144625   
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)
BDBM50144625
PNG
(1-[4-(5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-p...)
Show SMILES NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C27H29ClN4O3/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)31-18-16-30(17-19-31)20-25-14-13-24(35-25)8-4-5-15-32(34)27(29)33/h1-3,6-7,9-14,26,34H,5,15-20H2,(H2,29,33)/t26-/m1/s1
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n/an/a<200n/an/an/an/an/an/a



UCB Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in an RBL-2H3 cell lysate


Bioorg Med Chem Lett 14: 2265-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.005
BindingDB Entry DOI: 10.7270/Q2BV7G2P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50144625
PNG
(1-[4-(5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-p...)
Show SMILES NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C27H29ClN4O3/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)31-18-16-30(17-19-31)20-25-14-13-24(35-25)8-4-5-15-32(34)27(29)33/h1-3,6-7,9-14,26,34H,5,15-20H2,(H2,29,33)/t26-/m1/s1
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PubMed
n/an/a 420n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against arachidonate 5-lipoxygenase


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50144625
PNG
(1-[4-(5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-p...)
Show SMILES NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
Show InChI InChI=1S/C27H29ClN4O3/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)31-18-16-30(17-19-31)20-25-14-13-24(35-25)8-4-5-15-32(34)27(29)33/h1-3,6-7,9-14,26,34H,5,15-20H2,(H2,29,33)/t26-/m1/s1
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PC sid
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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



UCB Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in a human whole blood assay


Bioorg Med Chem Lett 14: 2265-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.005
BindingDB Entry DOI: 10.7270/Q2BV7G2P
More data for this
Ligand-Target Pair