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PubMed code 8120869

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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000845
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-7-4-8-22(16-21)26-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040423
PNG
(7-(3-(4-methoxytetrahydro-2H-pyran-4-yl)benzyloxy)...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-9-5-6-21(16-24)19-35-25-10-11-26-23(17-25)18-27-28(20-36-30(27)32)29(26)22-7-3-2-4-8-22/h2-11,16-18H,12-15,19-20H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040419
PNG
(7-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxymeth...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-8-5-9-25(18-24)35-19-21-10-11-26-23(16-21)17-27-28(20-36-30(27)32)29(26)22-6-3-2-4-7-22/h2-11,16-18H,12-15,19-20H2,1H3
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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
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040422
PNG
(7-[3-(1-Methoxy-1-thiazol-2-yl-propyl)-phenoxymeth...)
Show SMILES CCC(OC)(c1nccs1)c1cccc(OCc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H27NO4S/c1-3-32(35-2,31-33-14-15-38-31)24-10-7-11-25(18-24)36-19-21-12-13-26-23(16-21)17-27-28(20-37-30(27)34)29(26)22-8-5-4-6-9-22/h4-18H,3,19-20H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000857
PNG
(2-(1-methoxy-1-(3-(naphthalen-2-ylmethoxy)phenyl)p...)
Show SMILES CCC(OC)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-9-6-10-22(16-21)27-17-18-11-12-19-7-4-5-8-20(19)15-18/h4-16H,3,17H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040418
PNG
(7-[3-(1-Methoxy-1-thiazol-2-yl-propyl)-benzyloxy]-...)
Show SMILES CCC(OC)(c1nccs1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H27NO4S/c1-3-32(35-2,31-33-14-15-38-31)24-11-7-8-21(16-24)19-36-25-12-13-26-23(17-25)18-27-28(20-37-30(27)34)29(26)22-9-5-4-6-10-22/h4-18H,3,19-20H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040420
PNG
(4-Methoxy-4-[3-(naphthalen-2-yloxymethyl)-phenyl]-...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-8-4-5-18(15-21)17-26-22-10-9-19-6-2-3-7-20(19)16-22/h2-10,15-16H,11-14,17H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50040421
PNG
(2-{1-Methoxy-1-[3-(naphthalen-2-yloxymethyl)-pheny...)
Show SMILES CCC(OC)(c1nccs1)c1cccc(COc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-10-6-7-18(15-21)17-27-22-12-11-19-8-4-5-9-20(19)16-22/h4-16H,3,17H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50029559
PNG
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%