BindingDB BDBM50067040 ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)::(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one::(1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one::CHEMBL116438::cid_5281767::curcumin I::curcumine::curcurmin::diferuloylmethane

BDBM50067040 ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)::(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one::(1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione::1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione::1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione::5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one::5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one::CHEMBL116438::cid_5281767::curcumin I::curcumine::curcurmin::diferuloylmethane

SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O

InChI Key InChIKey=VFLDPWHFBUODDF-UHFFFAOYSA-N

Data 18 KI 91 IC50 6 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50067040

Intestinal-type alkaline phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay

BDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)

IC50: 7.41E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

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Intestinal-type alkaline phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay

BDBM50067040(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)

IC50: 4.41E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

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Filter my 115 hits

Targets 69▿
- Integrase 9
- Polyunsaturated fatty acid 5-lipoxygenase 6
- Prostaglandin G/H synthase 1 5
- Calcium/calmodulin-dependent protein kinase type II subunit alpha 4
- 11-beta-hydroxysteroid dehydrogenase 1 4
- Amyloid-beta precursor protein 4
- Prostaglandin G/H synthase 2 3
- 17-beta-hydroxysteroid dehydrogenase type 3 3
- Signal transducer and activator of transcription 3 3
- Histone acetyltransferase p300 3
- Multidrug resistance protein CDR1 2
- Histone deacetylase 2
- Intestinal-type alkaline phosphatase 2
- Beta-secretase 1 2
- Protease 2
- Prostaglandin E synthase 2
- Neuraminidase 2
- Tissue factor 2
- Nitric oxide synthase, inducible 2
- Acetylcholinesterase 2
- Lactoylglutathione lyase 2
- Aminopeptidase N 2
- Beta-lactamase 1
- Carbonic anhydrase 12 1
- Carbonic anhydrase 1 1
- Carbonic anhydrase 15 1
- Carbonic anhydrase 14 1
- Protein kinase C delta type 1
- Carbonic anhydrase 13 1
- Potassium two pore domain channel subfamily K member 2 1
- Vitamin D3 receptor 1
- Histone acetyltransferase KAT5 1
- RmtA 1
- Epidermal growth factor receptor 1
- Nuclear factor erythroid 2-related factor 2 1
- Cell division protein FtsZ 1
- Protein kinase C epsilon type 1
- DNA topoisomerase 2-alpha 1
- Polyunsaturated fatty acid lipoxygenase ALOX15 1
- Cytochrome P450 1A2 1
- Protein arginine N-methyltransferase 1 [11-371] 1
- Cytochrome P450 2C9 1
- Anthrax toxin receptor 2 1
- Carbonic anhydrase 5A, mitochondrial 1
- Pancreatic triacylglycerol lipase 1
- Cytochrome P450 3A4 1
- Intestinal-type alkaline phosphatase 1 1
- Orphan methyltransferase M.SssI 1
- Tubulin alpha chain 1
- Toll-like receptor 4 1
- Replicase polyprotein 1ab 1
- Alkaline phosphatase, germ cell type 1
- Toll-like receptor 9 1
- Protein kinase C theta type 1
- Collagenase 3 1
- Carbonic anhydrase 5B, mitochondrial 1
- Matrix metalloproteinase-9 1
- Serine/threonine-protein kinase 33 1
- Alkaline phosphatase, tissue-nonspecific isozyme 1
- Carbonic anhydrase 6 1
- Carbonic anhydrase 7 1
- Carbonic anhydrase 9 1
- Carbonic anhydrase 2 1
- Lipoxygenase 1
- Carbonic anhydrase 3 1
- Cytochrome P450 2D6 1
- Carbonic anhydrase 4 1
- Cytochrome P450 2B6 1
- Enoyl-[acyl-carrier-protein] reductase [NADH] FabI 1
- ...
Publications 50▿
- Bioorg Med Chem Lett 20: 5050-3 (2010) 13
- J Med Chem 57: 5638-48 (2014) 11
- Eur J Med Chem 43: 1621-31 (2008) 5
- Bioorg Med Chem 20: 6040-7 (2012) 4
- Bioorg Med Chem Lett 23: 4362-6 (2013) 4
- Proc Natl Acad Sci U S A 104: 20523-8 (2007) 3
- Bioorg Med Chem 18: 1591-8 (2010) 3
- J Nat Prod 72: 2019-23 (2009) 3
- Bioorg Med Chem 22: 4151-61 (2014) 3
- Bioorg Med Chem Lett 20: 2549-51 (2010) 3
- Bioorg Med Chem Lett 21: 1612-6 (2011) 2
- Bioorg Med Chem Lett 23: 4948-52 (2013) 2
- Bioorg Med Chem 22: 6047-52 (2014) 2
- Antimicrob Agents Chemother 53: 3256-65 (2009) 2
- Bioorg Med Chem 17: 5219-28 (2009) 2
- J Med Chem 40: 3057-63 (1997) 2
- Bioorg Med Chem 17: 1381-6 (2009) 2
- J Med Chem 50: 1241-53 (2007) 2
- J Nat Prod 76: 1105-12 (2013) 2
- Bioorg Med Chem 17: 1290-6 (2009) 1
- Bioorg Med Chem Lett 18: 5591-3 (2008) 1
- Eur J Med Chem 45: 4209-14 (2010) 1
- Bioorg Med Chem 19: 7228-35 (2011) 1
- Bioorg Med Chem Lett 15: 1793-7 (2005) 1
- Bioorg Med Chem 21: 62-9 (2012) 1
- Bioorg Med Chem 21: 693-702 (2013) 1
- PubChem Bioassay (2010) 1
- Bioorg Med Chem Lett 21: 1512-4 (2011) 1
- J Nat Prod 72: 1533-7 (2009) 1
- Eur J Med Chem 62: 301-10 (2013) 1
- Bioorg Med Chem Lett 20: 56-9 (2010) 1
- Bioorg Med Chem Lett 17: 1466-70 (2007) 1
- J Med Chem 57: 6513-30 (2014) 1
- J Nat Prod 78: 1593-9 (2015) 1
- J Med Chem 58: 2779-98 (2015) 1
- J Med Chem 41: 3948-60 (1998) 1
- PubChem Bioassay (2010) 1
- Bioorg Med Chem Lett 19: 706-9 (2009) 1
- PubChem Bioassay (2010) 1
- Bioorg Med Chem 21: 388-94 (2012) 1
- Bioorg Med Chem Lett 23: 2880-2 (2013) 1
- Bioorg Med Chem 17: 990-1005 (2009) 1
- Bioorg Med Chem Lett 23: 2225-9 (2013) 1
- Bioorg Med Chem 19: 1189-96 (2011) 1
- Bioorg Med Chem 22: 4784-91 (2014) 1
- J Med Chem 50: 1973-7 (2007) 1
- Bioorg Med Chem Lett 10: 1879-82 (2000) 1
- J Nat Prod 68: 985-91 (2005) 1
- PubChem Bioassay (2010) 1
- Bioorg Med Chem 20: 6739-50 (2012) 1
- ...
Institutions 39▿
- Universit£ 16
- University Jena 11
- Vrije Universiteit 5
- Sapienza University Of Rome 4
- Rajiv Gandhi Centre For Biotechnology 4
- Wenzhou Medical College 4
- University Of Houston 3
- School Of Pharmacy 3
- Universiti Kebangsaan Malaysia 3
- Burnham Center For Chemical Genomics 3
- University Of Oxford 3
- University Of Toyama 3
- National Institute Of Pharmaceutical Education And Research (Niper) 3
- Fudan University 2
- Central China Normal University 2
- Chungnam National University 2
- Shandong University 2
- Institute Of Science And Technology 2
- National Cancer Institute-Bethesda 2
- Hacettepe University 2
- Georgia State University 2
- Sun Yat-Sen University 2
- Jawaharlal Nehru University 2
- National Institute Of Pharmaceutical Education And Research 1
- Uppsala University 1
- China Pharmaceutical University 1
- Huazhong Agricultural University 1
- The Ohio State University College Of Medicine And Public Health 1
- Broad Institute 1
- Uned 1
- The Ohio State University 1
- Ramkhamhaeng University 1
- Daegu Haany University 1
- Soochow University 1
- Florida Atlantic University 1
- Saarland University 1
- Korea Institute Of Science And Technology 1
- Guangzhou Institute Of Biomedicine And Health 1
- Arizona State University 1
- ...
Affinity: 0.21 to 1.1E+6 nM▿
- Ki 18
- IC50 91
- EC50 6
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1