BindingDB BDBM50140172 CHEBI:3962::CHEMBL140::Curcumin::US9409845, Table 1, Compound 21: curcumin

BDBM50140172 CHEBI:3962::CHEMBL140::Curcumin::US9409845, Table 1, Compound 21: curcumin

SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O

InChI Key InChIKey=VFLDPWHFBUODDF-FCXRPNKRSA-N

Data 10 KI 107 IC50 9 Kd 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50140172

Lymphocyte antigen 96(Homo sapiens (Human))
Wenzhou Medical University

Curated by ChEMBL

BDBM50140172(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)

Kd: 3.79E+5nMAssay Description:Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysisMore data for this Ligand-Target Pair

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Targets 63▿
- Amyloid-beta precursor protein 22
- Alpha-synuclein 6
- Amine oxidase [flavin-containing] B 4
- Amine oxidase [flavin-containing] A 4
- Microtubule-associated protein tau 4
- Glycogen synthase kinase-3 beta 4
- CREB-binding protein/Histone acetyltransferase p300 3
- Dual specificity protein kinase CLK1 3
- Dual specificity tyrosine-phosphorylation-regulated kinase 1A 3
- Histone acetyltransferase p300 3
- Replicase polyprotein 1ab 3
- Acetylcholinesterase 3
- Thioredoxin reductase 3 3
- Platelet-derived growth factor receptor alpha/beta 2
- Dual specificity tyrosine-phosphorylation-regulated kinase 1B 2
- D-amino-acid oxidase 2
- Cholinesterase 2
- 11-beta-hydroxysteroid dehydrogenase 1 2
- Co-chaperonin GroES 2
- Prostaglandin E synthase 2
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 2
- CDGSH iron-sulfur domain-containing protein 1 2
- Proteasome subunit beta type-5 2
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 2
- Dual specificity tyrosine-phosphorylation-regulated kinase 2 2
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 2
- Polyunsaturated fatty acid 5-lipoxygenase 1
- Histone deacetylase 1
- Beta-secretase 1 1
- Tissue factor 1
- Thiosulfate sulfurtransferase 1
- Dual specificity protein kinase CLK4 1
- Lymphocyte antigen 96 1
- Dual specificity protein kinase CLK3 1
- Dual specificity protein kinase CLK2 1
- Voltage-dependent L-type calcium channel subunit alpha-1S 1
- NACHT, LRR and PYD domains-containing protein 3 1
- Aminopeptidase N 1
- Epidermal growth factor receptor 1
- Nuclear factor erythroid 2-related factor 2 1
- CREB-binding protein 1
- 60 kDa heat shock protein, mitochondrial 1
- Sortase family protein 1
- 11-beta-hydroxysteroid dehydrogenase type 2 1
- Glutathione S-transferase P 1
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
- Prostaglandin G/H synthase 1/2 1
- Histone deacetylase 8 1
- Histone deacetylase 2 1
- Chaperonin GroEL 1
- Serine/threonine-protein kinase PAK 1 1
- Histone deacetylase 1 1
- 17-beta-hydroxysteroid dehydrogenase type 2 1
- Cysteine protease 1
- Sodium/bile acid cotransporter 1
- Lysine-specific histone demethylase 1A 1
- Proto-oncogene tyrosine-protein kinase Src 1
- Casein kinase I isoform epsilon 1
- Lactoylglutathione lyase 1
- Dual specificity tyrosine-phosphorylation-regulated kinase 4 1
- Tyrosinase 1
- Sortase 1
- Dual specificity tyrosine-phosphorylation-regulated kinase 3 1
- ...
Publications 50▿
- J Med Chem 63: 1937-1963 (2020) 6
- Eur J Med Chem 167: 10-36 (2019) 6
- Eur J Med Chem 214: (2021) 6
- Bioorg Med Chem Lett 29: 1106-1112 (2019) 5
- Bioorg Med Chem 73: (2022) 3
- J Med Chem 64: 16922-16955 (2021) 3
- Bioorg Med Chem Lett 77: (2022) 3
- Bioorg Med Chem Lett 30: (2020) 3
- J Med Chem 59: 1249-70 (2016) 3
- J Med Chem 59: 1747-60 (2016) 3
- J Med Chem 60: 1620-1637 (2017) 3
- Eur J Med Chem 130: 139-153 (2017) 2
- ACS Med Chem Lett 7: 502-7 (2016) 2
- Eur J Med Chem 167: 291-311 (2019) 2
- ACS Med Chem Lett 7: 56-61 (2016) 2
- Bioorg Med Chem Lett 26: 5350-5353 (2016) 2
- J Nat Prod 80: 278-289 (2017) 2
- J Nat Prod 78: 2867-79 (2015) 2
- J Med Chem 59: 531-44 (2016) 2
- Bioorg Med Chem Lett 30: (2020) 2
- Eur J Med Chem 130: 440-457 (2017) 2
- Eur J Med Chem 178: 259-286 (2019) 1
- Bioorg Med Chem 43: (2021) 1
- Bioorg Med Chem 27: 3745-3759 (2019) 1
- J Med Chem 63: 13428-13443 (2020) 1
- J Nat Prod 83: 2950-2959 (2020) 1
- Bioorg Med Chem Lett 29: (2019) 1
- Bioorg Med Chem Lett 26: 5024-5028 (2016) 1
- Eur J Med Chem 180: 656-672 (2019) 1
- Bioorg Med Chem 28: (2020) 1
- J Med Chem 63: 1337-1360 (2020) 1
- Bioorg Med Chem Lett 26: 3330-3335 (2016) 1
- Eur J Med Chem 142: 229-243 (2017) 1
- Bioorg Med Chem 26: 5397-5407 (2018) 1
- Bioorg Med Chem Lett 27: 1405-1411 (2017) 1
- Bioorg Med Chem 24: 3829-41 (2016) 1
- J Med Chem 61: 6468-6490 (2018) 1
- Eur J Med Chem 127: 174-186 (2017) 1
- Bioorg Med Chem 26: 5759-5765 (2018) 1
- J Enzyme Inhib Med Chem 25: 854-62 (2010) 1
- Bioorg Med Chem Lett 27: 1026-1030 (2017) 1
- J Med Chem 59: 2436-51 (2016) 1
- ACS Med Chem Lett 11: 806-810 (2020) 1
- J Med Chem 59: 9062-9079 (2016) 1
- J Med Chem 65: 12546-12561 (2022) 1
- Bioorg Med Chem Lett 30: (2020) 1
- Bioorg Med Chem 44: (2021) 1
- Eur J Med Chem 233: (2022) 1
- Eur J Med Chem 151: 351-362 (2018) 1
- US Patent US9409845 (2016) 1
- ...
Institutions 41▿
- North-West University 8
- Universit£ 7
- University of Chemistry and Technology Prague 6
- University Of Aveiro 6
- Indiana University School of Medicine 5
- China Pharmaceutical University 4
- University Of Minnesota 3
- Michigan State University 3
- University Of Freiburg 3
- Khon Kaen University 3
- Ac Immune 2
- Birla Institute Of Technology 2
- Chinese Academy of Sciences 2
- Mashhad University of Medical Sciences 2
- Sichuan University 2
- University of Barcelona 2
- University Of Waterloo 2
- Shenyang Pharmaceutical University 2
- Alma Mater Studiorum-University Of Bologna 2
- Institute of Agricultural and Food Biotechnology 2
- Federal University of Alfenas 2
- Sun Yat-Sen University 2
- Zhejiang University 2
- West Virginia University 2
- University of Zimbabwe 1
- School of Advanced Sciences 1
- Jadavpur University 1
- Wenzhou Medical University 1
- Doshisha University 1
- Zhejiang Chinese Medical University 1
- Chinese Academy Of Medical Sciences And Peking Union Medical College 1
- University of Messina 1
- University Of Delhi 1
- Pharmaxyn Laboratories 1
- Pak Research Center 1
- Chengdu University 1
- Wuhan Institute of Technology 1
- Xinyang Normal University 1
- University Of Toronto 1
- Southwest Jiaotong University 1
- "G. D'Annunzio" University Of Chieti-Pescara 1
- ...
Affinity: 2.5 to 3.8E+5 nM▿
- Ki 10
- IC50 107
- Kd 9
- EC50 2
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1