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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 354.3
BDBM50384998
Purchase
Wt: 368.3
BDBM50140172
Wt: 440.4
BDBM50157621

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

Found 28 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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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101n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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710n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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2.15E+4n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additi...


ACS Med Chem Lett 7: 56-61 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00326
BindingDB Entry DOI: 10.7270/Q2PV6N85
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of bovine seminal vesicle COX uing [1-14C]PGH2 as substrate by TLC/liquid scintillation spectrometry method


Bioorg Med Chem Lett 26: 2531-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.092
BindingDB Entry DOI: 10.7270/Q23J3FVS
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/a 2.10E+3n/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
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Src in mouse BV2 cells assessed as suppression of LPS-induced NO release preincubated for 1 hr followed by LPS addition measured after ...


J Med Chem 59: 9062-9079 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00976
BindingDB Entry DOI: 10.7270/Q2B56MP4
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens)
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.36E+3n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/a 2.90E+3n/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
Tau


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Doshisha University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TAU three-repeat microtubule-binding domain aggregation expressed in Escherichia coli after 16 hrs by thioflavin T fl...


Bioorg Med Chem Lett 26: 5024-5028 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.092
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis


ACS Med Chem Lett 7: 502-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00039
BindingDB Entry DOI: 10.7270/Q27W6F3R
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p300 catalytic domain (1284 to 1673 residues) using histone H3 peptide substrate after 1 hr by liquid scintillation c...


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PDK1 assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 8.65E+3n/an/an/an/an/a25



PHARMAXYN LABORATORIES LTD.

US Patent


Assay Description
The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. T...


US Patent US9409845 (2016)


BindingDB Entry DOI: 10.7270/Q25M64MC
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 1.13E+4n/an/an/an/an/an/a



Linyi People's Hospital

Curated by ChEMBL


Assay Description
Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assay


Bioorg Med Chem Lett 26: 747-50 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.001
BindingDB Entry DOI: 10.7270/Q2GT5Q18
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay


J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.18E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescenc...


Bioorg Med Chem 24: 3829-41 (2016)


Article DOI: 10.1016/j.bmc.2016.06.027
BindingDB Entry DOI: 10.7270/Q24Q7WXM
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillat...


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant CBP (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillati...


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/a>4.00E+4n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of TrxR in human HeLa cells assessed as depletion of cellular thiol after 48 hrs


J Med Chem 58: 1795-805 (2015)


Article DOI: 10.1021/jm5016507
BindingDB Entry DOI: 10.7270/Q2KS6T75
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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UniProtKB/TrEMBL

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PubMed
n/an/a 6.90E+4n/an/an/an/an/an/a



University of Zimbabwe



Assay Description
A range of natural products were screened for inhibition of PfGST by GST assay with CDNB as a substrate, using a 96-well SpectraMax 340 microplate sp...


J Enzyme Inhib Med Chem 25: 854-62 (2010)


Article DOI: 10.3109/14756366.2010.486793
BindingDB Entry DOI: 10.7270/Q2D21WGF
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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MMDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PKC theta assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PKC alpha assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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MMDB

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n/an/a 3.43E+5n/an/an/an/an/an/a



Alma Mater Studiorum - University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...


J Med Chem 59: 531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00894
BindingDB Entry DOI: 10.7270/Q27P9183
More data for this
Ligand-Target Pair
Lymphocyte antigen 96


(Homo sapiens)
BDBM50157621
PNG
(CHEMBL3787558)
Show SMILES COc1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1
Show InChI InChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+
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n/an/an/a 1.20n/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis


J Med Chem 59: 2436-51 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01574
BindingDB Entry DOI: 10.7270/Q2JW8GR7
More data for this
Ligand-Target Pair
Lymphocyte antigen 96


(Homo sapiens)
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/an/a 4.60E+5n/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis


J Med Chem 59: 2436-51 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01574
BindingDB Entry DOI: 10.7270/Q2JW8GR7
More data for this
Ligand-Target Pair
Lymphocyte antigen 96


(Homo sapiens)
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/an/a 3.79E+5n/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis


J Med Chem 59: 2436-51 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01574
BindingDB Entry DOI: 10.7270/Q2JW8GR7
More data for this
Ligand-Target Pair
Lymphocyte antigen 96


(Homo sapiens)
BDBM50157621
PNG
(CHEMBL3787558)
Show SMILES COc1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1
Show InChI InChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+
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n/an/an/a 3.40E+4n/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis


J Med Chem 59: 2436-51 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01574
BindingDB Entry DOI: 10.7270/Q2JW8GR7
More data for this
Ligand-Target Pair