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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'hand' and Initial = 'jm'   
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)
BDBM50016627
PNG
(C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphth...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
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n/an/a 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025771
PNG
(CHEMBL338408 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C19H18N2O5S/c1-25-19(23)10-9-18(22)21(24)13-5-4-6-14(11-13)26-12-17-20-15-7-2-3-8-16(15)27-17/h2-8,11,24H,9-10,12H2,1H3
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50006822
PNG
(1,1-Diethyl-3-{2-hydroxy-2-[3-(quinolin-2-ylmethox...)
Show SMILES CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H29N3O3/c1-4-27(5-2)24(29)26(3)16-23(28)19-10-8-11-21(15-19)30-17-20-14-13-18-9-6-7-12-22(18)25-20/h6-15,23,28H,4-5,16-17H2,1-3H3/t23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006820
PNG
(2-[3-(1H-Tetrazol-5-ylmethyl)-phenoxymethyl]-quino...)
Show SMILES C(Oc1cccc(Cc2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H15N5O/c1-2-7-17-14(5-1)8-9-15(19-17)12-24-16-6-3-4-13(10-16)11-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit Prostaglandin G/H synthase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025770
PNG
(CHEMBL334848 | N-[3-(1-Methyl-1H-benzoimidazol-2-y...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3n2C)c1
Show InChI InChI=1S/C20H21N3O4/c1-23-17-9-4-3-8-16(17)22-18(23)13-27-15-7-5-6-14(12-15)21-19(24)10-11-20(25)26-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50016627
PNG
(C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphth...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
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n/an/a 1.19E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025772
PNG
(1-[3-(Benzothiazol-2-ylmethoxy)-phenyl]-5-oxo-pyrr...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C20H18N2O4S/c1-25-20(24)13-9-19(23)22(11-13)14-5-4-6-15(10-14)26-12-18-21-16-7-2-3-8-17(16)27-18/h2-8,10,13H,9,11-12H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006813
PNG
(CHEMBL79453 | N-Methoxy-2-[3-(quinolin-2-ylmethoxy...)
Show SMILES CONC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C19H18N2O3/c1-23-21-19(22)12-14-5-4-7-17(11-14)24-13-16-10-9-15-6-2-3-8-18(15)20-16/h2-11H,12-13H2,1H3,(H,21,22)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025766
PNG
(CHEMBL130819 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C19H18N2O4S/c1-24-19(23)10-9-17(22)20-13-5-4-6-14(11-13)25-12-18-21-15-7-2-3-8-16(15)26-18/h2-8,11H,9-10,12H2,1H3,(H,20,22)
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n/an/a 1.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the rat Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025769
PNG
(CHEMBL341255 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C18H16N2O4S/c1-23-18(22)10-16(21)19-12-5-4-6-13(9-12)24-11-17-20-14-7-2-3-8-15(14)25-17/h2-9H,10-11H2,1H3,(H,19,21)
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025767
PNG
(CHEMBL131423 | N-[3-(Benzofuran-2-ylmethoxy)-pheny...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2cc3ccccc3o2)c1
Show InChI InChI=1S/C20H19NO5/c1-24-20(23)10-9-19(22)21-15-6-4-7-16(12-15)25-13-17-11-14-5-2-3-8-18(14)26-17/h2-8,11-12H,9-10,13H2,1H3,(H,21,22)
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n/an/a 1.79E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025764
PNG
(5-Oxo-1-[3-(quinolin-2-ylmethoxy)-phenyl]-pyrrolid...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-22(26)16-11-21(25)24(13-16)18-6-4-7-19(12-18)28-14-17-10-9-15-5-2-3-8-20(15)23-17/h2-10,12,16H,11,13-14H2,1H3
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n/an/a 1.91E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50405505
PNG
(CHEMBL2115108)
Show SMILES CN1C[C@H](OC1=O)c1cccc(OCc2ccc3ccccc3n2)c1 |r|
Show InChI InChI=1S/C20H18N2O3/c1-22-12-19(25-20(22)23)15-6-4-7-17(11-15)24-13-16-10-9-14-5-2-3-8-18(14)21-16/h2-11,19H,12-13H2,1H3/t19-/m0/s1
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n/an/a 1.96E+4n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025762
PNG
(CHEMBL130717 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CCC(=O)N(C)c1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C20H20N2O4S/c1-22(19(23)10-11-20(24)25-2)14-6-5-7-15(12-14)26-13-18-21-16-8-3-4-9-17(16)27-18/h3-9,12H,10-11,13H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025765
PNG
(CHEMBL130864 | N-[3-(Benzothiazol-2-yloxy)-phenyl]...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(Oc2nc3ccccc3s2)c1
Show InChI InChI=1S/C18H16N2O4S/c1-23-17(22)10-9-16(21)19-12-5-4-6-13(11-12)24-18-20-14-7-2-3-8-15(14)25-18/h2-8,11H,9-10H2,1H3,(H,19,21)
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n/an/a 2.71E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022196
PNG
(CHEMBL288778 | N-[3-(Quinolin-2-ylmethoxy)-phenyl]...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O4/c1-26-21(25)12-11-20(24)23-16-6-4-7-18(13-16)27-14-17-10-9-15-5-2-3-8-19(15)22-17/h2-10,13H,11-12,14H2,1H3,(H,23,24)
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n/an/a 2.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025763
PNG
(1-[3-(Benzooxazol-2-ylmethoxy)-phenyl]-5-oxo-pyrro...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(OCc2nc3ccccc3o2)c1
Show InChI InChI=1S/C20H18N2O5/c1-25-20(24)13-9-19(23)22(11-13)14-5-4-6-15(10-14)26-12-18-21-16-7-2-3-8-17(16)27-18/h2-8,10,13H,9,11-12H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the rat PMN (polymorphonuclear leukocyte) CO (cyclo-oxygenase) in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 4.04E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by PMN (Prostaglandin G/H synthase).


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit Prostaglandin G/H synthase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025768
PNG
(CHEMBL131323 | N-[3-(Benzooxazol-2-ylmethoxy)-phen...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3o2)c1
Show InChI InChI=1S/C19H18N2O5/c1-24-19(23)10-9-17(22)20-13-5-4-6-14(11-13)25-12-18-21-15-7-2-3-8-16(15)26-18/h2-8,11H,9-10,12H2,1H3,(H,20,22)
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n/an/a 6.97E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50006822
PNG
(1,1-Diethyl-3-{2-hydroxy-2-[3-(quinolin-2-ylmethox...)
Show SMILES CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H29N3O3/c1-4-27(5-2)24(29)26(3)16-23(28)19-10-8-11-21(15-19)30-17-20-14-13-18-9-6-7-12-22(18)25-20/h6-15,23,28H,4-5,16-17H2,1-3H3/t23-/m0/s1
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Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit Prostaglandin G/H synthase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50405505
PNG
(CHEMBL2115108)
Show SMILES CN1C[C@H](OC1=O)c1cccc(OCc2ccc3ccccc3n2)c1 |r|
Show InChI InChI=1S/C20H18N2O3/c1-22-12-19(25-20(22)23)15-6-4-7-17(11-15)24-13-16-10-9-14-5-2-3-8-18(14)21-16/h2-11,19H,12-13H2,1H3/t19-/m0/s1
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Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit Prostaglandin G/H synthase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair