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5 similar compounds to monomer 50004425

Compile data set for download or QSAR
Wt: 364.3
BDBM50004452
Wt: 288.2
BDBM50004431
Wt: 364.3
BDBM50004447
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Wt: 330.2
BDBM50004450
Wt: 338.2
BDBM50394748
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50004452,50004431,50004447,50004450,50394748   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50394748
PNG
(CHEMBL2163347)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004431
PNG
(CHEMBL3238208)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccccc1
Show InChI InChI=1S/C13H8N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h1-8H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004447
PNG
(CHEMBL3238212)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H12N2O6/c22-19(15-10-16(20(23)24)12-17(11-15)21(25)26)27-18-8-6-14(7-9-18)13-4-2-1-3-5-13/h1-12H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004450
PNG
(CHEMBL3238209)
Show SMILES CCCc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C16H14N2O6/c1-2-4-11-5-3-6-15(7-11)24-16(19)12-8-13(17(20)21)10-14(9-12)18(22)23/h3,5-10H,2,4H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004450
PNG
(CHEMBL3238209)
Show SMILES CCCc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C16H14N2O6/c1-2-4-11-5-3-6-15(7-11)24-16(19)12-8-13(17(20)21)10-14(9-12)18(22)23/h3,5-10H,2,4H2,1H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50394748
PNG
(CHEMBL2163347)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
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n/an/a 8.60E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50394748
PNG
(CHEMBL2163347)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
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n/an/a 1.04E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotom...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004431
PNG
(CHEMBL3238208)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccccc1
Show InChI InChI=1S/C13H8N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h1-8H
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n/an/a 1.58E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004452
PNG
(CHEMBL3238211)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H12N2O6/c22-19(15-9-16(20(23)24)12-17(10-15)21(25)26)27-18-8-4-7-14(11-18)13-5-2-1-3-6-13/h1-12H
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n/an/a 3.80E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004447
PNG
(CHEMBL3238212)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H12N2O6/c22-19(15-10-16(20(23)24)12-17(11-15)21(25)26)27-18-8-6-14(7-9-18)13-4-2-1-3-5-13/h1-12H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50394748
PNG
(CHEMBL2163347)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
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n/an/a 7.60E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in LPS-stimulated human whole blood assessed as reduction in PGE2 production incubated for 24 hrs at 37 degC by enzyme immunoass...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50394748
PNG
(CHEMBL2163347)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
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n/an/a 3.60E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 expressed in Escherichia coli Rosetta-DE3 assessed as reduction in PGE2 production by enzyme immunoassay based cell-free system ...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50394748
PNG
(CHEMBL2163347)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
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n/an/a 8.60E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduction in LTB4 production pre-incubated for 20 mins before A23187 additi...


J Med Chem 55: 2597-605 (2012)


Article DOI: 10.1021/jm201497k
BindingDB Entry DOI: 10.7270/Q20P115J
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50004452
PNG
(CHEMBL3238211)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H12N2O6/c22-19(15-9-16(20(23)24)12-17(10-15)21(25)26)27-18-8-4-7-14(11-18)13-5-2-1-3-6-13/h1-12H
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n/an/a 8.70E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair