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PubMed code 8021931

Compile data set for download or QSAR
Found 19 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
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 180n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038646
PNG
(2-(6-(4-tert-butylphenyl)-2,2-dimethyl-7-phenyl-2,...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(CC(O)=O)n2CC(C)(C)Cc2c1-c1ccccc1
Show InChI InChI=1S/C27H31NO2/c1-26(2,3)20-13-11-19(12-14-20)24-21(15-23(29)30)28-17-27(4,5)16-22(28)25(24)18-9-7-6-8-10-18/h6-14H,15-17H2,1-5H3,(H,29,30)
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n/an/a 180n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 230n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of human 5-lipoxygenase in human cells


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038647
PNG
(CHEMBL56161 | [2-(4-Methoxy-phenyl)-6,6-dimethyl-1...)
Show SMILES COc1ccc(cc1)-c1c(CC(O)=O)n2CC(C)(C)Cc2c1-c1ccccc1
Show InChI InChI=1S/C24H25NO3/c1-24(2)14-20-23(16-7-5-4-6-8-16)22(17-9-11-18(28-3)12-10-17)19(13-21(26)27)25(20)15-24/h4-12H,13-15H2,1-3H3,(H,26,27)
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n/an/a 240n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038653
PNG
(2-(2,2-dimethyl-6-(4-nitrophenyl)-7-phenyl-2,3-dih...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C23H22N2O4/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(18(12-20(26)27)24(19)14-23)16-8-10-17(11-9-16)25(28)29/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038654
PNG
(2-(6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrr...)
Show SMILES OC(=O)Cc1c(c(c2CCCn12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClNO2/c22-16-10-8-15(9-11-16)21-18(13-19(24)25)23-12-4-7-17(23)20(21)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038645
PNG
(CHEMBL55414 | [6,6-Dimethyl-2-(4-phenoxy-phenyl)-1...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Oc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C29H27NO3/c1-29(2)18-25-28(20-9-5-3-6-10-20)27(24(17-26(31)32)30(25)19-29)21-13-15-23(16-14-21)33-22-11-7-4-8-12-22/h3-16H,17-19H2,1-2H3,(H,31,32)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038657
PNG
(CHEMBL301693 | [2-(3-Chloro-phenyl)-6,6-dimethyl-1...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-21(15-7-4-3-5-8-15)22(16-9-6-10-17(24)11-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038655
PNG
(CHEMBL54485 | [2-(3,4-Dichloro-phenyl)-6,6-dimethy...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C23H21Cl2NO2/c1-23(2)12-19-21(14-6-4-3-5-7-14)22(15-8-9-16(24)17(25)10-15)18(11-20(27)28)26(19)13-23/h3-10H,11-13H2,1-2H3,(H,27,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038656
PNG
(CHEMBL54486 | [6,6-Dimethyl-1-phenyl-2-(2,3,4-tric...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)c(Cl)c1Cl)-c1ccccc1
Show InChI InChI=1S/C23H20Cl3NO2/c1-23(2)11-17-19(13-6-4-3-5-7-13)20(16(10-18(28)29)27(17)12-23)14-8-9-15(24)22(26)21(14)25/h3-9H,10-12H2,1-2H3,(H,28,29)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038652
PNG
(CHEMBL56034 | [2-(2,4-Dichloro-phenyl)-6,6-dimethy...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H21Cl2NO2/c1-23(2)12-19-21(14-6-4-3-5-7-14)22(16-9-8-15(24)10-17(16)25)18(11-20(27)28)26(19)13-23/h3-10H,11-13H2,1-2H3,(H,27,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038660
PNG
((6,6-Dimethyl-1,2-diphenyl-6,7-dihydro-5H-pyrroliz...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23NO2/c1-23(2)14-19-22(17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)18(13-20(25)26)24(19)15-23/h3-12H,13-15H2,1-2H3,(H,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038659
PNG
(CHEMBL56033 | [2-(2,5-Dichloro-phenyl)-6,6-dimethy...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1cc(Cl)ccc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H21Cl2NO2/c1-23(2)12-19-21(14-6-4-3-5-7-14)22(16-10-15(24)8-9-17(16)25)18(11-20(27)28)26(19)13-23/h3-10H,11-13H2,1-2H3,(H,27,28)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038662
PNG
(CHEMBL56294 | [2-(2-Chloro-phenyl)-6,6-dimethyl-1-...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccccc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-21(15-8-4-3-5-9-15)22(16-10-6-7-11-17(16)24)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038661
PNG
(CHEMBL56600 | [1-(4-Chloro-phenyl)-6,6-dimethyl-2-...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(16-8-10-17(24)11-9-16)21(15-6-4-3-5-7-15)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038658
PNG
(CHEMBL291487 | [2-(4-Amino-phenyl)-6,6-dimethyl-1-...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(N)cc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14,24H2,1-2H3,(H,26,27)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038650
PNG
(CHEMBL54658 | [2-(4-Hydroxy-phenyl)-6,6-dimethyl-1...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H23NO3/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(25)11-9-16)18(12-20(26)27)24(19)14-23/h3-11,25H,12-14H2,1-2H3,(H,26,27)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038648
PNG
(CHEMBL301264 | [2-(4-Fluoro-phenyl)-6,6-dimethyl-1...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22FNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50038651
PNG
(CHEMBL300670 | [2-(4-Acetylamino-phenyl)-6,6-dimet...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1c(CC(O)=O)n2CC(C)(C)Cc2c1-c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c1-16(28)26-19-11-9-18(10-12-19)23-20(13-22(29)30)27-15-25(2,3)14-21(27)24(23)17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,26,28)(H,29,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merckle GmbH

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine PMNL cell assay.


J Med Chem 37: 1894-7 (1994)


Article DOI: 10.1021/jm00038a021
BindingDB Entry DOI: 10.7270/Q2MC8Z2H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%