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47 similar compounds to monomer 69390

Compile data set for download or QSAR
Wt: 340.3
BDBM19460
Purchase
Wt: 324.3
BDBM26663
Purchase
Wt: 340.3
BDBM58016
Wt: 408.4
BDBM68166
Wt: 324.3
BDBM69607
Wt: 392.4
BDBM69609
Purchase
Wt: 424.4
BDBM50193723
Wt: 412.4
BDBM50213234
Wt: 338.3
BDBM50213236
Wt: 338.3
BDBM50213239
Wt: 322.3
BDBM50213241
Wt: 382.4
BDBM50213243
Wt: 352.4
BDBM50213245
Wt: 324.3
BDBM50213251
Purchase
Wt: 382.4
BDBM50213252
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 19460,26663,58016,68166,69607,69609,50193723,50213234,50213236,50213239,50213241,50213243,50213245,50213251,50213252   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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PubMed
n/an/a 57n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2M61HJ1
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a 3.88E+4n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of kynuramine ...


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM26663
PNG
((2S)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phe...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1
Show InChI InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
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n/an/a 1.25E+4n/an/an/an/a7.030



Loma Linda University



Assay Description
The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...


Mol Cancer Ther 6: 163-72 (2007)


Article DOI: 10.1158/1535-7163.MCT-06-0397
BindingDB Entry DOI: 10.7270/Q2N8783K
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58016
PNG
(2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-5,7-bis...)
Show SMILES CC(C)=CCc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68166
PNG
(2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-5,...)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68166
PNG
(2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-5,...)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM58016
PNG
(2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-5,7-bis...)
Show SMILES CC(C)=CCc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69607
PNG
(5,7-dihydroxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-...)
Show SMILES CC(C)=CCc1c(O)cc2OC(CC(=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10,17,21,23H,9,11H2,1-2H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/an/an/a 5.84E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68166
PNG
(2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-5,...)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM68166
PNG
(2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-5,...)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
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n/an/a 840n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM26663
PNG
((2S)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phe...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1
Show InChI InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
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Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Loma Linda University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase


Bioorg Med Chem 15: 6463-73 (2007)

Checked by Author
Article DOI: 10.1016/j.bmc.2007.06.025
BindingDB Entry DOI: 10.7270/Q2C24W4S
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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PubMed
n/an/a 1.62E+4n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 expressed in COS7 cells


J Nat Prod 71: 1513-7 (2008)


Article DOI: 10.1021/np800049y
BindingDB Entry DOI: 10.7270/Q2R78G4G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50193723
PNG
((S)-2-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)...)
Show SMILES CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2)c(O)cc1O
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(19(27)10-18(15)26)22-12-21(29)24-23(31-22)11-20(28)16(25(24)30)8-6-14(3)4/h5-6,9-11,22,26-28,30H,7-8,12H2,1-4H3/t22-/m0/s1
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n/an/a 8.96E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50193723
PNG
((S)-2-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)...)
Show SMILES CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2)c(O)cc1O
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(19(27)10-18(15)26)22-12-21(29)24-23(31-22)11-20(28)16(25(24)30)8-6-14(3)4/h5-6,9-11,22,26-28,30H,7-8,12H2,1-4H3/t22-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method


Bioorg Med Chem Lett 25: 3455-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.017
BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C


J Nat Prod 74: 262-6 (2011)


Article DOI: 10.1021/np100797y
BindingDB Entry DOI: 10.7270/Q2VM4CJT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213239
PNG
(7-Hydroxy-2-[4'-methoxy-3'-(3-methylbut-2-enyl)phe...)
Show SMILES COc1ccc(cc1CC=C(C)C)C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-14-10-15(6-9-19(14)24-3)20-12-18(23)17-8-7-16(22)11-21(17)25-20/h4,6-11,20,22H,5,12H2,1-3H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213251
PNG
((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...)
Show SMILES CC(C)=CCc1cc(ccc1O)C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3
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n/an/a 2.92E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins


Bioorg Med Chem 19: 3378-83 (2011)


Article DOI: 10.1016/j.bmc.2011.04.037
BindingDB Entry DOI: 10.7270/Q2DF6RKT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM26663
PNG
((2S)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phe...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1
Show InChI InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus C2888 AChE using acetylthiocholine iodide as substrate by Ellman's spectroscopic method


J Nat Prod 75: 2012-2015 (2012)


Article DOI: 10.1021/np300660y
BindingDB Entry DOI: 10.7270/Q2959JNP
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213234
PNG
(7-(methoxymethoxy)-2-[4-(methoxymethoxy)-3-(3-meth...)
Show SMILES COCOc1ccc2C(=O)CC(Oc2c1)c1ccc(OCOC)c(CC=C(C)C)c1
Show InChI InChI=1S/C24H28O6/c1-16(2)5-6-17-11-18(7-10-22(17)29-15-27-4)23-13-21(25)20-9-8-19(28-14-26-3)12-24(20)30-23/h5,7-12,23H,6,13-15H2,1-4H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213236
PNG
(2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-7-metho...)
Show SMILES COc1ccc2C(=O)CC(Oc2c1)c1ccc(O)c(CC=C(C)C)c1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-14-10-15(6-9-18(14)22)20-12-19(23)17-8-7-16(24-3)11-21(17)25-20/h4,6-11,20,22H,5,12H2,1-3H3
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n/an/a 4.75E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213239
PNG
(7-Hydroxy-2-[4'-methoxy-3'-(3-methylbut-2-enyl)phe...)
Show SMILES COc1ccc(cc1CC=C(C)C)C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-14-10-15(6-9-19(14)24-3)20-12-18(23)17-8-7-16(22)11-21(17)25-20/h4,6-11,20,22H,5,12H2,1-3H3
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n/an/a 4.08E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213241
PNG
(7-methoxy-2-[3-(3-methylbut-2-enyl)phenyl]chroman-...)
Show SMILES COc1ccc2C(=O)CC(Oc2c1)c1cccc(CC=C(C)C)c1
Show InChI InChI=1S/C21H22O3/c1-14(2)7-8-15-5-4-6-16(11-15)20-13-19(22)18-10-9-17(23-3)12-21(18)24-20/h4-7,9-12,20H,8,13H2,1-3H3
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n/an/a 4.67E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213243
PNG
(7-methoxy-2-[4-(methoxymethoxy)-3-(3-methylbut-2-e...)
Show SMILES COCOc1ccc(cc1CC=C(C)C)C1CC(=O)c2ccc(OC)cc2O1
Show InChI InChI=1S/C23H26O5/c1-15(2)5-6-16-11-17(7-10-21(16)27-14-25-3)22-13-20(24)19-9-8-18(26-4)12-23(19)28-22/h5,7-12,22H,6,13-14H2,1-4H3
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n/an/a 2.51E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213245
PNG
(7-methoxy-2-[4-methoxy-3-(3-methylbut-2-enyl)pheny...)
Show SMILES COc1ccc2C(=O)CC(Oc2c1)c1ccc(OC)c(CC=C(C)C)c1
Show InChI InChI=1S/C22H24O4/c1-14(2)5-6-15-11-16(7-10-20(15)25-4)21-13-19(23)18-9-8-17(24-3)12-22(18)26-21/h5,7-12,21H,6,13H2,1-4H3
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n/an/a 3.67E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213251
PNG
((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...)
Show SMILES CC(C)=CCc1cc(ccc1O)C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213252
PNG
(2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-(meth...)
Show SMILES COCOc1ccc2C(=O)CC(Oc2c1)c1ccc(OC)c(CC=C(C)C)c1
Show InChI InChI=1S/C23H26O5/c1-15(2)5-6-16-11-17(7-10-21(16)26-4)22-13-20(24)19-9-8-18(27-14-25-3)12-23(19)28-22/h5,7-12,22H,6,13-14H2,1-4H3
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n/an/a 7.67E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/a 3.75E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate


Bioorg Med Chem Lett 23: 5836-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.102
BindingDB Entry DOI: 10.7270/Q28W3FQ0
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213251
PNG
((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...)
Show SMILES CC(C)=CCc1cc(ccc1O)C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of aromatase by radiometric method


J Nat Prod 71: 1082-4 (2008)


Article DOI: 10.1021/np800098f
BindingDB Entry DOI: 10.7270/Q2ZS2XF0
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213251
PNG
((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...)
Show SMILES CC(C)=CCc1cc(ccc1O)C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3
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n/an/a 6.20E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of aromatase by fluorimetric high throughput method


J Nat Prod 71: 1082-4 (2008)


Article DOI: 10.1021/np800098f
BindingDB Entry DOI: 10.7270/Q2ZS2XF0
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50213251
PNG
((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...)
Show SMILES CC(C)=CCc1cc(ccc1O)C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of aromatase by fluorimetric method


J Nat Prod 71: 1082-4 (2008)


Article DOI: 10.1021/np800098f
BindingDB Entry DOI: 10.7270/Q2ZS2XF0
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 30 mins


Bioorg Med Chem 25: 3706-3713 (2017)


Article DOI: 10.1016/j.bmc.2017.05.009
BindingDB Entry DOI: 10.7270/Q2C82CRZ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins


J Nat Prod 80: 334-346 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00783
BindingDB Entry DOI: 10.7270/Q2XD146V
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM58016
PNG
(2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-5,7-bis...)
Show SMILES CC(C)=CCc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
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n/an/an/an/a 400n/an/an/an/a



Hallertauer Hopfenveredelung GmbH

Curated by ChEMBL


Assay Description
Estrogenic activity at estrogen receptor alpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-Nitrophenol pho...


J Nat Prod 80: 2284-2294 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00284
BindingDB Entry DOI: 10.7270/Q2JH3PSG
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Hallertauer Hopfenveredelung GmbH

Curated by ChEMBL


Assay Description
Estrogenic activity at estrogen receptor alpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-Nitrophenol pho...


J Nat Prod 80: 2284-2294 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00284
BindingDB Entry DOI: 10.7270/Q2JH3PSG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.1 expressed in HEK293 cells assessed as suppression of T-current after 10 mins by whole cell patch clamp method


Bioorg Med Chem 26: 4410-4427 (2018)


Article DOI: 10.1016/j.bmc.2018.07.023
BindingDB Entry DOI: 10.7270/Q2TT4TMV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM58016
PNG
(2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-5,7-bis...)
Show SMILES CC(C)=CCc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.1 expressed in HEK293 cells assessed as suppression of T-current after 10 mins by whole cell patch clamp method


Bioorg Med Chem 26: 4410-4427 (2018)


Article DOI: 10.1016/j.bmc.2018.07.023
BindingDB Entry DOI: 10.7270/Q2TT4TMV
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells assessed as suppression of T-current amplitude after 10 mins by whole cell patch clamp method


Bioorg Med Chem 26: 4410-4427 (2018)


Article DOI: 10.1016/j.bmc.2018.07.023
BindingDB Entry DOI: 10.7270/Q2TT4TMV
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM58016
PNG
(2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-5,7-bis...)
Show SMILES CC(C)=CCc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells assessed as suppression of T-current amplitude after 10 mins by whole cell patch clamp method


Bioorg Med Chem 26: 4410-4427 (2018)


Article DOI: 10.1016/j.bmc.2018.07.023
BindingDB Entry DOI: 10.7270/Q2TT4TMV
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay


J Nat Prod 81: 966-975 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01070
BindingDB Entry DOI: 10.7270/Q2DV1NKT
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...


J Nat Prod 81: 966-975 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01070
BindingDB Entry DOI: 10.7270/Q2DV1NKT
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/a 3.06E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM69609
PNG
((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...)
Show SMILES CC(C)=CCc1cc(ccc1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay


J Nat Prod 77: 563-70 (2014)


Article DOI: 10.1021/np400817j
BindingDB Entry DOI: 10.7270/Q23J3GZJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of benzylamine...


Bioorg Med Chem Lett 26: 4714-4719 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.044
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a 68n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)


Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2M61HJ1
More data for this
Ligand-Target Pair