BindingDB

null

SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

InChI Key InChIKey=XHEFDIBZLJXQHF-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer. 11 PDB IDs contain this monomer as substructures. 11 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 7457

Integrase(Human immunodeficiency virus 1)
National Cancer Institute

Curated by ChEMBL

BDBM7457(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)copy SMILEScopy InChI

IC50: 8.50E+3nMAssay Description:IC50 was measured as concentration required to inhibit 50% of HIV-integrase integrationMore data for this Ligand-Target Pair

PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2959J6VPubMed

Integrase(Human immunodeficiency virus 1)
National Cancer Institute

Curated by ChEMBL

BDBM7457(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)copy SMILEScopy InChI

IC50: 2.84E+4nMAssay Description:IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavageMore data for this Ligand-Target Pair

PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2959J6VPubMed

Targets 37 ▿
- Tyrosine-protein kinase SYK 2
- Integrase 2
- Endoribonuclease toxin MazF 2
- Cruzipain 2
- Pyruvate kinase PKM 2
- Acetylcholinesterase 2
- Serine/threonine-protein kinase pim-1 2
- Enoyl-acyl-carrier protein reductase 2
- Tyrosine-protein kinase Lck 1
- 3-oxoacyl-acyl-carrier protein reductase 1
- Alpha-amylase 1A 1
- Casein kinase II subunit alpha 3 1
- Cyclin-dependent kinase 6 1
- Alpha-glucosidase MAL62 1
- Polyunsaturated fatty acid lipoxygenase ALOX15B 1
- Polyunsaturated fatty acid lipoxygenase ALOX12 1
- DNA topoisomerase 2-alpha 1
- Polyunsaturated fatty acid lipoxygenase ALOX15 1
- Dipeptidyl peptidase 3 1
- 3-hydroxyacyl-[acyl-carrier-protein] dehydratase 1
- Mitogen-activated protein kinase 14 1
- Aurora kinase B 1
- Casein kinase II subunit alpha 1
- Glycogen synthase kinase-3 beta 1
- Cyclin-dependent kinase 5 activator 1 [99-307] 1
- DNA gyrase subunit A/B 1
- Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B 1
- Mitogen-activated protein kinase 10 1
- Amyloid-beta precursor protein 1
- 1-deoxy-D-xylulose 5-phosphate reductoisomerase 1
- Solute carrier organic anion transporter family member 2B1 1
- Cholinesterase 1
- Cyclin-dependent kinase 2 1
- 17-beta-hydroxysteroid dehydrogenase type 3 1
- Cyclin homolog/dependent kinase 6 1
- Xanthine dehydrogenase/oxidase 1
- Lactoylglutathione lyase 1
Publications 26 ▿
- J Med Chem 48: 737-43 (2005) 4
- Bioorg Med Chem 15: 7408-25 (2007) 3
- J Med Chem 49: 3345-53 (2006) 3
- Chembiochem 11: 2579-88 (2010) 2
- Eur J Med Chem 45: 186-92 (2010) 2
- J Med Chem 55: 3614-43 (2012) 2
- J Med Chem 53: 37-51 (2010) 2
- J Med Chem 38: 890-7 (1995) 2
- Eur J Med Chem 181: (2019) 1
- Bioorg Med Chem Lett 17: 1284-7 (2007) 1
- J Med Chem 51: 3555-61 (2008) 1
- J Nat Prod 58: 217-25 (1995) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- J Enzym Inhib 16: 35-45 (2001) 1
- J Nat Prod 61: 71-6 (1998) 1
- PubChem Bioassay (2011) 1
- PubChem Bioassay (2011) 1
- Mol Cancer Ther 6: 163-72 (2007) 1
- Chem Biol Drug Des 85: 574-85 (2015) 1
- Chem Biol Drug Des 89: 619-627 (2017) 1
- Bioorg Med Chem 27: 677-685 (2019) 1
- Bioorg Med Chem 15: 6463-73 (2007) 1
- J Med Chem 31: 1396-406 (1988) 1
- Bioorg Med Chem Lett 20: 4779-81 (2010) 1
- Bioorg Chem 59: 140-4 (2015) 1
- J Med Chem 44: 4288-91 (2001) 1
Institutions 24 ▿
- [Lawrence Berkeley National Laboratory] 4
- [Universidad de Santiago de Chile, University of Zurich] 3
- [Universidad de Santiago de Chile, University of Zurich] 3
- [Burnham Center for Chemical Genomics, Eberhard Karls University of Tuebingen, China Pharmaceutical University, Rigel, Inc., Institute for Medical Research and Occupational Health, National Cancer Institute, National Human Genome Research Institute] 2
- [Burnham Center for Chemical Genomics, Eberhard Karls University of Tuebingen, China Pharmaceutical University, Rigel, Inc., Institute for Medical Research and Occupational Health, National Cancer Institute, National Human Genome Research Institute] 2
- [Burnham Center for Chemical Genomics, Eberhard Karls University of Tuebingen, China Pharmaceutical University, Rigel, Inc., Institute for Medical Research and Occupational Health, National Cancer Institute, National Human Genome Research Institute] 2
- [Burnham Center for Chemical Genomics, Eberhard Karls University of Tuebingen, China Pharmaceutical University, Rigel, Inc., Institute for Medical Research and Occupational Health, National Cancer Institute, National Human Genome Research Institute] 2
- [Burnham Center for Chemical Genomics, Eberhard Karls University of Tuebingen, China Pharmaceutical University, Rigel, Inc., Institute for Medical Research and Occupational Health, National Cancer Institute, National Human Genome Research Institute] 2
- [Burnham Center for Chemical Genomics, Eberhard Karls University of Tuebingen, China Pharmaceutical University, Rigel, Inc., Institute for Medical Research and Occupational Health, National Cancer Institute, National Human Genome Research Institute] 2
- [Burnham Center for Chemical Genomics, Eberhard Karls University of Tuebingen, China Pharmaceutical University, Rigel, Inc., Institute for Medical Research and Occupational Health, National Cancer Institute, National Human Genome Research Institute] 2
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
- [Loma Linda University, Konkuk University, Cardiff University, Universit£ di Pisa, Keimyung University, TBA, CSIR-Central Drug Research Institute, University of Antwerp, University of Illinois at Chicago, Loma Linda University School of Medicine, Universite de Strasbourg, Uniroyal Chemical Co., Inc., Nestle Research Center, Josip Juraj Strossmayer University of Osijek] 1
Affinity: 12 to 1.3E+10 nM▿
- Ki 4
- IC50 38
- EC50 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 2
Catalog Cmpds: 1