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PubMed code 24900445

Compile data set for download or QSAR
Found 10 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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50384785
PNG
(CHEMBL2037376)
Show SMILES Cn1nnc2cc(NC(=O)NCCC3=CCCCC3)ccc12
Show InChI InChI=1S/C16H21N5O/c1-21-15-8-7-13(11-14(15)19-20-21)18-16(22)17-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,17,18,22)
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n/an/a 470n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50384786
PNG
(CHEMBL1364973)
Show SMILES COc1ccc(NC(=O)c2cccc(c2)-n2cnnn2)cc1
Show InChI InChI=1S/C15H13N5O2/c1-22-14-7-5-12(6-8-14)17-15(21)11-3-2-4-13(9-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384782
PNG
(CHEMBL2037373)
Show SMILES CN(C)c1ccc(cc1)-n1nc2ccc3ccccc3c2n1
Show InChI InChI=1S/C18H16N4/c1-21(2)14-8-10-15(11-9-14)22-19-17-12-7-13-5-3-4-6-16(13)18(17)20-22/h3-12H,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384783
PNG
(CHEMBL2037374)
Show SMILES COc1ccc(cc1OC)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C16H15NO3/c1-10-4-6-13-12(8-10)17-16(20-13)11-5-7-14(18-2)15(9-11)19-3/h4-9H,1-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50384784
PNG
(CHEMBL2037375)
Show SMILES COc1ccc(cc1OC)-c1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C16H16N2O2/c1-10-4-6-12-13(8-10)18-16(17-12)11-5-7-14(19-2)15(9-11)20-3/h4-9H,1-3H3,(H,17,18)
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384779
PNG
(CHEMBL1330331)
Show SMILES COc1cccc(CNc2nc3ccccc3n2C)c1O
Show InChI InChI=1S/C16H17N3O2/c1-19-13-8-4-3-7-12(13)18-16(19)17-10-11-6-5-9-14(21-2)15(11)20/h3-9,20H,10H2,1-2H3,(H,17,18)
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n/an/a 7.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384781
PNG
(CHEMBL2037345)
Show SMILES COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1OC
Show InChI InChI=1S/C16H16N4O2/c1-21-14-8-7-11(9-15(14)22-2)10-17-20-16-18-12-5-3-4-6-13(12)19-16/h3-9H,10H2,1-2H3,(H,18,19)
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n/an/a 8.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384780
PNG
(CHEMBL2037372)
Show SMILES CC(C)CC(=O)Nc1nc-2c(CCc3ccccc-23)s1
Show InChI InChI=1S/C16H18N2OS/c1-10(2)9-14(19)17-16-18-15-12-6-4-3-5-11(12)7-8-13(15)20-16/h3-6,10H,7-9H2,1-2H3,(H,17,18,19)
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50384787
PNG
(CHEMBL2037377)
Show SMILES COc1ccc(CC(=O)Nc2ccc(C)cc2)cc1OC
Show InChI InChI=1S/C17H19NO3/c1-12-4-7-14(8-5-12)18-17(19)11-13-6-9-15(20-2)16(10-13)21-3/h4-10H,11H2,1-3H3,(H,18,19)
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated ...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384784
PNG
(CHEMBL2037375)
Show SMILES COc1ccc(cc1OC)-c1nc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C16H16N2O2/c1-10-4-6-12-13(8-10)18-16(17-12)11-5-7-14(19-2)15(9-11)20-3/h4-9H,1-3H3,(H,17,18)
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n/an/a 3.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant 5-lipooxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to subst...


ACS Med Chem Lett 3: 155-158 (2012)


Article DOI: 10.1021/ml200286e
BindingDB Entry DOI: 10.7270/Q2J10468
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%