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30 similar compounds to monomer 50042982

Compile data set for download or QSAR
Wt: 224.2
BDBM86007
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Wt: 254.2
BDBM86008
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Wt: 284.3
BDBM86009
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Wt: 300.3
BDBM50042957
Wt: 286.2
BDBM50042972
Wt: 240.2
BDBM50042978
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Wt: 298.3
BDBM50042981
Wt: 240.2
BDBM50042987
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Wt: 288.2
BDBM50042994
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Wt: 256.2
BDBM50042962
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Wt: 240.2
BDBM50042963
Wt: 272.2
BDBM50042966
Wt: 270.2
BDBM50042969
Wt: 256.2
BDBM50042976
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Wt: 270.2
BDBM50042983
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Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 86007,86008,86009,50042957,50042972,50042978,50042981,50042987,50042994,50042962,50042963,50042966,50042969,50042976,50042983   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86007
PNG
(Chalcone, 6)
Show SMILES Oc1ccccc1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
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n/an/a 5.92E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 2.54E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...


J Med Chem 60: 568-579 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86009
PNG
(Chalcone, 9)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+
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n/an/a 2.82E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Chemokine CXCL12


(Homo sapiens (Human))
BDBM50042978
PNG
((E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H/b10-7+
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n/an/a 2.42E+4n/an/an/an/an/a20



Université Louis Pasteur



Assay Description
Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemo...


J Biol Chem 283: 23189-99 (2008)


Article DOI: 10.1074/jbc.M803947200
BindingDB Entry DOI: 10.7270/Q23X858J
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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n/an/a 1.10E+5n/an/an/an/a6.825



Shaoyang University



Assay Description
All compounds were dissolved in DMSO (final DMSO concentration in test solution was 2.0%). Phosphate buffer, pH 6.8, was use to dilute the DMSO stoc...


Chem Biol Drug Des 82: 39-47 (2013)


Article DOI: 10.1111/cbdd.12126
BindingDB Entry DOI: 10.7270/Q20C4TD7
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042957
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,6-dimethoxy-phenyl)-...)
Show SMILES COc1cccc(OC)c1C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-15-4-3-5-16(22-2)17(15)13(19)9-7-11-6-8-12(18)14(20)10-11/h3-10,18,20H,1-2H3/b9-7+
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n/an/a 370n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042963
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-phenyl-propenone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
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n/an/a 43n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042966
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dihydroxy-phenyl)-...)
Show SMILES Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-6-13(18)11(8-10)12(17)4-1-9-2-5-14(19)15(20)7-9/h1-8,16,18-20H/b4-1+
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n/an/a 64n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042983
PNG
(3-(4-Hydroxy-3-methoxy-phenyl)-1-(2-hydroxy-phenyl...)
Show SMILES COc1cc(\C=C\C(=O)c2ccccc2O)ccc1O
Show InChI InChI=1S/C16H14O4/c1-20-16-10-11(7-9-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-10,17,19H,1H3/b8-6+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042969
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-methyl-phe...)
Show SMILES Cc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14O4/c1-10-2-5-13(17)12(8-10)14(18)6-3-11-4-7-15(19)16(20)9-11/h2-9,17,19-20H,1H3/b6-3+
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n/an/a 39n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042972
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-4-methoxy-ph...)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C16H14O5/c1-21-11-4-5-12(15(19)9-11)13(17)6-2-10-3-7-14(18)16(20)8-10/h2-9,18-20H,1H3/b6-2+
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n/an/a 15n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042978
PNG
((E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H/b10-7+
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n/an/a 4.20E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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n/an/a 4.00E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042981
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-isopropyl-...)
Show SMILES CC(C)c1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O4/c1-11(2)13-5-8-16(20)14(10-13)15(19)6-3-12-4-7-17(21)18(22)9-12/h3-11,20-22H,1-2H3/b6-3+
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n/an/a 4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042994
PNG
((2E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyph...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+
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n/an/a 140n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM86007
PNG
(Chalcone, 6)
Show SMILES Oc1ccccc1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
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n/an/a 8.40E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellm...


Eur J Med Chem 80: 228-42 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.018
BindingDB Entry DOI: 10.7270/Q2JM2C6S
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 15: 2396-402 (2007)


Article DOI: 10.1016/j.bmc.2007.01.017
BindingDB Entry DOI: 10.7270/Q2R78DWH
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50042966
PNG
(3-(3,4-Dihydroxy-phenyl)-1-(2,5-dihydroxy-phenyl)-...)
Show SMILES Oc1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-6-13(18)11(8-10)12(17)4-1-9-2-5-14(19)15(20)7-9/h1-8,16,18-20H/b4-1+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50042963
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-phenyl-propenone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
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n/an/a 5.30E+4n/an/an/an/an/an/a



Northern Kentucky University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis


Bioorg Med Chem 24: 578-87 (2016)


Article DOI: 10.1016/j.bmc.2015.12.024
BindingDB Entry DOI: 10.7270/Q23F4RJT
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM86009
PNG
(Chalcone, 9)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+
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n/an/a 4.97E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetry


Bioorg Med Chem 20: 346-55 (2011)


Article DOI: 10.1016/j.bmc.2011.10.074
BindingDB Entry DOI: 10.7270/Q24X587H
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM86009
PNG
(Chalcone, 9)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+
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n/an/a 5.07E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP in human MCF7/MX cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by Fluorometry


Bioorg Med Chem 20: 346-55 (2011)


Article DOI: 10.1016/j.bmc.2011.10.074
BindingDB Entry DOI: 10.7270/Q24X587H
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042963
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-phenyl-propenone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042983
PNG
(3-(4-Hydroxy-3-methoxy-phenyl)-1-(2-hydroxy-phenyl...)
Show SMILES COc1cc(\C=C\C(=O)c2ccccc2O)ccc1O
Show InChI InChI=1S/C16H14O4/c1-20-16-10-11(7-9-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-10,17,19H,1H3/b8-6+
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n/an/a 1.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042994
PNG
((2E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyph...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042963
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-phenyl-propenone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042978
PNG
((E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H/b10-7+
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n/an/a 4.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.40E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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n/an/a 4.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042962
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042963
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-1-phenyl-propenone | ...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
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n/an/a 2.29E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50042983
PNG
(3-(4-Hydroxy-3-methoxy-phenyl)-1-(2-hydroxy-phenyl...)
Show SMILES COc1cc(\C=C\C(=O)c2ccccc2O)ccc1O
Show InChI InChI=1S/C16H14O4/c1-20-16-10-11(7-9-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-10,17,19H,1H3/b8-6+
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n/an/a 6.30E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was determined 100 uM


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 3.33E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...


J Med Chem 60: 568-579 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86008
PNG
(Chalcone, 7)
Show SMILES COc1cccc(\C=C\C(=O)c2ccccc2O)c1
Show InChI InChI=1S/C16H14O3/c1-19-13-6-4-5-12(11-13)9-10-16(18)14-7-2-3-8-15(14)17/h2-11,17H,1H3/b10-9+
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n/an/a 6.60E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair