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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50320447   
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 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES CC(C)=CCC[C@@]1(C)CCC[C@]2(C)[C@H](Cc3cc(ccc3O)C(O)=O)C(C)=CC[C@@H]12
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human 15-lipoxygenase


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES CC(C)=CCC[C@@]1(C)CCC[C@]2(C)[C@H](Cc3cc(ccc3O)C(O)=O)C(C)=CC[C@@H]12
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50320447
PNG
(CHEMBL1164369 | isojaspic acid)
Show SMILES CC(C)=CCC[C@@]1(C)CCC[C@]2(C)[C@H](Cc3cc(ccc3O)C(O)=O)C(C)=CC[C@@H]12
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24+,26+,27-/m1/s1
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair