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PubMed code 9871745

Compile data set for download or QSAR
Found 8 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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50059715
PNG
(4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C27H22N2O5/c28-13-17-8-19-10-21(4-5-23(19)24(9-17)18-6-7-31-14-18)32-15-20-2-1-3-25(29-20)27(30)11-22-16-33-26(12-27)34-22/h1-10,14,22,26,30H,11-12,15-16H2
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50070314
PNG
(7-((3-fluoro-5-(3-hydroxy-6,8-dioxabicyclo[3.2.1]o...)
Show SMILES OC1(CC2COC(C1)O2)c1cc(F)cc(OCc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C27H21FN2O5/c28-19-6-18(27(31)10-22-15-34-26(11-27)35-22)7-21(8-19)33-13-16-1-2-23-24(17-3-4-32-14-17)9-20(12-29)30-25(23)5-16/h1-9,14,22,26,31H,10-11,13,15H2
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n/an/a 27n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50070310
PNG
(4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C26H21N3O5/c27-12-18-8-22(16-6-7-31-13-16)21-5-4-19(9-23(21)28-18)32-14-17-2-1-3-24(29-17)26(30)10-20-15-33-25(11-26)34-20/h1-9,13,20,25,30H,10-11,14-15H2
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n/an/a 36n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50070312
PNG
(1-Benzyl-4-furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bi...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(=O)n(Cc4ccccc4)c3c2)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C32H28N2O6/c35-30-14-27(22-11-12-37-18-22)26-10-9-24(13-28(26)34(30)17-21-5-2-1-3-6-21)38-19-23-7-4-8-29(33-23)32(36)15-25-20-39-31(16-32)40-25/h1-14,18,25,31,36H,15-17,19-20H2
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n/an/a 102n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50070313
PNG
(7-[3-Fluoro-5-(3-hydroxy-6,8-dioxa-bicyclo[3.2.1]o...)
Show SMILES OC1(CC2COC(C1)O2)c1cc(F)cc(SCc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C27H21FN2O4S/c28-19-6-18(27(31)10-21-14-33-26(11-27)34-21)7-22(8-19)35-15-16-1-2-23-24(17-3-4-32-13-17)9-20(12-29)30-25(23)5-16/h1-9,13,21,26,31H,10-11,14-15H2
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n/an/a 124n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50070308
PNG
(3-[6-(4-Furan-3-yl-isoquinolin-7-yloxymethyl)-pyri...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cncc3c2)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C25H22N2O5/c28-25(9-20-15-31-24(10-25)32-20)23-3-1-2-18(27-23)14-30-19-4-5-21-17(8-19)11-26-12-22(21)16-6-7-29-13-16/h1-8,11-13,20,24,28H,9-10,14-15H2
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n/an/a 1.46E+3n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50070311
PNG
(1-Furan-3-yl-6-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(nc(cc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C26H21N3O5/c27-12-19-8-17-9-20(4-5-22(17)25(29-19)16-6-7-31-13-16)32-14-18-2-1-3-23(28-18)26(30)10-21-15-33-24(11-26)34-21/h1-9,13,21,24,30H,10-11,14-15H2
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n/an/a 1.96E+3n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50070309
PNG
(4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4|
Show InChI InChI=1S/C27H22N2O5/c28-13-20-9-24(18-6-7-31-15-18)23-5-4-21(10-25(23)29-20)32-14-17-2-1-3-19(8-17)27(30)11-22-16-33-26(12-27)34-22/h1-10,15,22,26,30H,11-12,14,16H2
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n/an/a>3.00E+3n/an/an/an/an/an/a



Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)


Bioorg Med Chem Lett 8: 1255-60 (1999)


BindingDB Entry DOI: 10.7270/Q29P30SR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%