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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 214.0
BDBM32147
Purchase
Wt: 218.2
BDBM50222280
Purchase
Wt: 204.2
BDBM50222281
Wt: 218.2
BDBM50222282
Wt: 204.2
BDBM50222283
Wt: 204.2
BDBM50222310
Wt: 204.2
BDBM50222311
Purchase
Wt: 218.2
BDBM50222312
Wt: 218.2
BDBM50222313
Wt: 204.2
BDBM50222314
Wt: 218.2
BDBM50222274
Wt: 204.2
BDBM50222275
Wt: 218.2
BDBM50222302
Wt: 190.1
BDBM50222298
Wt: 190.1
BDBM50222299
Displayed 1 to 15 (of 83 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 54 hits in this display   
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 1.90E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 2.40E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by ...


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 3.60E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 5-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 4.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...


J Med Chem 57: 669-76 (2014)


Article DOI: 10.1021/jm4012164
BindingDB Entry DOI: 10.7270/Q2GH9KDZ
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 2.80E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-2 assessed as conjugated diene product formation using arachidonic acid by ...


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32147
PNG
(AS-229 | CHLOROXINE | cid_2722)
Show SMILES Oc1c(Cl)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222299
PNG
(2-ethyl-6-hydroxy-4H-benzopyran-4-one | CHEMBL3944...)
Show SMILES CCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C11H10O3/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-6,12H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222274
PNG
(2-isobutyl-3-hydroxy-4H-benzopyran-4-one | CHEMBL2...)
Show SMILES CC(C)Cc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-8(2)7-11-13(15)12(14)9-5-3-4-6-10(9)16-11/h3-6,8,15H,7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222314
PNG
(6-hydroxy-2-isopropyl-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CC(C)c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C12H12O3/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-7,13H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222280
PNG
(2-tert-Butyl-6-hydroxy-chromen-4-one | 6-hydroxy-2...)
Show SMILES CC(C)(C)c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-7-10(15)9-6-8(14)4-5-11(9)16-12/h4-7,14H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222312
PNG
(6-hydroxy-2-isobutyl-4H-benzopyran-4-one | CHEMBL3...)
Show SMILES CC(C)Cc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C13H14O3/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6-8,14H,5H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222311
PNG
(7-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL241...)
Show SMILES CCCc1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-5-4-8(13)6-12(10)15-9/h4-7,13H,2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222313
PNG
(7-hydroxy-2-isobutyl-4H-benzopyran-4-one | CHEMBL3...)
Show SMILES CC(C)Cc1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H14O3/c1-8(2)5-10-7-12(15)11-4-3-9(14)6-13(11)16-10/h3-4,6-8,14H,5H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222310
PNG
(7-hydroxy-2-isopropyl-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CC(C)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-7(2)11-6-10(14)9-4-3-8(13)5-12(9)15-11/h3-7,13H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222302
PNG
(7-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL24...)
Show SMILES CC(C)(C)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-7-10(15)9-5-4-8(14)6-11(9)16-12/h4-7,14H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222298
PNG
(2-ethyl-3-hydroxy-4 H-benzopyran-4-one | CHEMBL238...)
Show SMILES CCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C11H10O3/c1-2-8-11(13)10(12)7-5-3-4-6-9(7)14-8/h3-6,13H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222281
PNG
(3-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL394...)
Show SMILES CC(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-7(2)12-11(14)10(13)8-5-3-4-6-9(8)15-12/h3-7,14H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222275
PNG
(2-isopropyl-3-hydroxy-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CCCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-2-5-10-12(14)11(13)8-6-3-4-7-9(8)15-10/h3-4,6-7,14H,2,5H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222283
PNG
(6-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL240...)
Show SMILES CCCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-6-8(13)4-5-12(10)15-9/h4-7,13H,2-3H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222282
PNG
(3-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL23...)
Show SMILES CC(C)(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-11(15)10(14)8-6-4-5-7-9(8)16-12/h4-7,15H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222275
PNG
(2-isopropyl-3-hydroxy-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CCCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-2-5-10-12(14)11(13)8-6-3-4-7-9(8)15-10/h3-4,6-7,14H,2,5H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222281
PNG
(3-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL394...)
Show SMILES CC(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-7(2)12-11(14)10(13)8-5-3-4-6-9(8)15-12/h3-7,14H,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222302
PNG
(7-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL24...)
Show SMILES CC(C)(C)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-7-10(15)9-5-4-8(14)6-11(9)16-12/h4-7,14H,1-3H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222299
PNG
(2-ethyl-6-hydroxy-4H-benzopyran-4-one | CHEMBL3944...)
Show SMILES CCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C11H10O3/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-6,12H,2H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222298
PNG
(2-ethyl-3-hydroxy-4 H-benzopyran-4-one | CHEMBL238...)
Show SMILES CCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C11H10O3/c1-2-8-11(13)10(12)7-5-3-4-6-9(7)14-8/h3-6,13H,2H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222298
PNG
(2-ethyl-3-hydroxy-4 H-benzopyran-4-one | CHEMBL238...)
Show SMILES CCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C11H10O3/c1-2-8-11(13)10(12)7-5-3-4-6-9(7)14-8/h3-6,13H,2H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222310
PNG
(7-hydroxy-2-isopropyl-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CC(C)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-7(2)11-6-10(14)9-4-3-8(13)5-12(9)15-11/h3-7,13H,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222302
PNG
(7-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL24...)
Show SMILES CC(C)(C)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-7-10(15)9-5-4-8(14)6-11(9)16-12/h4-7,14H,1-3H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222299
PNG
(2-ethyl-6-hydroxy-4H-benzopyran-4-one | CHEMBL3944...)
Show SMILES CCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C11H10O3/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-6,12H,2H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222282
PNG
(3-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL23...)
Show SMILES CC(C)(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-11(15)10(14)8-6-4-5-7-9(8)16-12/h4-7,15H,1-3H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222280
PNG
(2-tert-Butyl-6-hydroxy-chromen-4-one | 6-hydroxy-2...)
Show SMILES CC(C)(C)c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-7-10(15)9-6-8(14)4-5-11(9)16-12/h4-7,14H,1-3H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222274
PNG
(2-isobutyl-3-hydroxy-4H-benzopyran-4-one | CHEMBL2...)
Show SMILES CC(C)Cc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-8(2)7-11-13(15)12(14)9-5-3-4-6-10(9)16-11/h3-6,8,15H,7H2,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222282
PNG
(3-hydroxy-2-t-butyl-4H-benzopyran-4-one | CHEMBL23...)
Show SMILES CC(C)(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-11(15)10(14)8-6-4-5-7-9(8)16-12/h4-7,15H,1-3H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222313
PNG
(7-hydroxy-2-isobutyl-4H-benzopyran-4-one | CHEMBL3...)
Show SMILES CC(C)Cc1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H14O3/c1-8(2)5-10-7-12(15)11-4-3-9(14)6-13(11)16-10/h3-4,6-8,14H,5H2,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222283
PNG
(6-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL240...)
Show SMILES CCCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-6-8(13)4-5-12(10)15-9/h4-7,13H,2-3H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222310
PNG
(7-hydroxy-2-isopropyl-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CC(C)c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-7(2)11-6-10(14)9-4-3-8(13)5-12(9)15-11/h3-7,13H,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222311
PNG
(7-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL241...)
Show SMILES CCCc1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-5-4-8(13)6-12(10)15-9/h4-7,13H,2-3H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222313
PNG
(7-hydroxy-2-isobutyl-4H-benzopyran-4-one | CHEMBL3...)
Show SMILES CC(C)Cc1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C13H14O3/c1-8(2)5-10-7-12(15)11-4-3-9(14)6-13(11)16-10/h3-4,6-8,14H,5H2,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222275
PNG
(2-isopropyl-3-hydroxy-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CCCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-2-5-10-12(14)11(13)8-6-3-4-7-9(8)15-10/h3-4,6-7,14H,2,5H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222312
PNG
(6-hydroxy-2-isobutyl-4H-benzopyran-4-one | CHEMBL3...)
Show SMILES CC(C)Cc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C13H14O3/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6-8,14H,5H2,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222314
PNG
(6-hydroxy-2-isopropyl-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CC(C)c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C12H12O3/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-7,13H,1-2H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222311
PNG
(7-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL241...)
Show SMILES CCCc1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-5-4-8(13)6-12(10)15-9/h4-7,13H,2-3H2,1H3
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Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222312
PNG
(6-hydroxy-2-isobutyl-4H-benzopyran-4-one | CHEMBL3...)
Show SMILES CC(C)Cc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C13H14O3/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6-8,14H,5H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222314
PNG
(6-hydroxy-2-isopropyl-4H-benzopyran-4-one | CHEMBL...)
Show SMILES CC(C)c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C12H12O3/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-7,13H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222283
PNG
(6-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL240...)
Show SMILES CCCc1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C12H12O3/c1-2-3-9-7-11(14)10-6-8(13)4-5-12(10)15-9/h4-7,13H,2-3H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222281
PNG
(3-hydroxy-2-propyl-4H-benzopyran-4-one | CHEMBL394...)
Show SMILES CC(C)c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C12H12O3/c1-7(2)12-11(14)10(13)8-5-3-4-6-9(8)15-12/h3-7,14H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222274
PNG
(2-isobutyl-3-hydroxy-4H-benzopyran-4-one | CHEMBL2...)
Show SMILES CC(C)Cc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C13H14O3/c1-8(2)7-11-13(15)12(14)9-5-3-4-6-10(9)16-11/h3-6,8,15H,7H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222280
PNG
(2-tert-Butyl-6-hydroxy-chromen-4-one | 6-hydroxy-2...)
Show SMILES CC(C)(C)c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C13H14O3/c1-13(2,3)12-7-10(15)9-6-8(14)4-5-11(9)16-12/h4-7,14H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
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