BindingDB

null

SMILES O=c1cc(oc2ccccc12)-c1ccccc1

InChI Key InChIKey=VHBFFQKBGNRLFZ-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50028962

Poly [ADP-ribose] polymerase tankyrase-1(Homo sapiens (Human))
University of Oulu

Curated by ChEMBL

BDBM50028962(CHEMBL275638 | flavone)copy SMILEScopy InChI

IC50: 320nMAssay Description:Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assayMore data for this Ligand-Target Pair

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antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q24M95W6PubMed PDB

3D Structure (crystal)

Poly [ADP-ribose] polymerase tankyrase-2(Homo sapiens (Human))
University of Oulu

Curated by ChEMBL

BDBM50028962(CHEMBL275638 | flavone)copy SMILEScopy InChI

IC50: 140nMAssay Description:Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assa...More data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

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KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q24M95W6PubMed PDB

3D Structure (crystal)

Poly [ADP-ribose] polymerase 1(Homo sapiens (Human))
University of Oulu

Curated by ChEMBL

BDBM50028962(CHEMBL275638 | flavone)copy SMILEScopy InChI

IC50: 1.40E+3nMAssay Description:Inhibition of human recombinant ARTD1 by fluorescence assayMore data for this Ligand-Target Pair

PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

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

Details Article
BindingDB Entry DOI: 10.7270/Q24M95W6PubMed

Targets 24 ▿
- Adenosine receptor A1 3
- Adenosine receptor A3 3
- Aromatase 3
- Carbonic anhydrase 12 2
- Carbonic anhydrase 1 2
- Androgen receptor 2
- Broad substrate specificity ATP-binding cassette transporter ABCG2 2
- Carbonic anhydrase 9 2
- Carbonic anhydrase 2 2
- Adenosine receptor A2a 2
- Amine oxidase [flavin-containing] B 1
- Amine oxidase [flavin-containing] A 1
- Poly [ADP-ribose] polymerase tankyrase-1 1
- DNA-dependent protein kinase catalytic subunit 1
- Poly [ADP-ribose] polymerase tankyrase-2 1
- Epidermal growth factor receptor 1
- ATP-dependent translocase ABCB1 1
- Cytochrome P450 1B1 1
- Dihydroorotate dehydrogenase (quinone), mitochondrial 1
- Dipeptidyl peptidase 4 1
- Dipeptidyl peptidase 3 1
- Calmodulin-1 1
- Dihydroorotate dehydrogenase (fumarate) 1
- Poly [ADP-ribose] polymerase 1 1
Publications 20 ▿
- Bioorg Med Chem Lett 22: 3063-6 (2012) 8
- J Med Chem 56: 3507-17 (2013) 3
- J Med Chem 41: 46-52 (1998) 3
- J Med Chem 39: 781-8 (1996) 3
- Bioorg Med Chem 19: 2090-102 (2011) 2
- Bioorg Med Chem Lett 19: 972-5 (2009) 2
- Bioorg Chem 58: 72-80 (2015) 2
- J Med Chem 39: 2293-301 (1996) 2
- Chem Biol Drug Des 89: 619-627 (2017) 1
- Eur J Med Chem 135: 296-306 (2017) 1
- J Med Chem 48: 569-85 (2005) 1
- Bioorg Med Chem 22: 126-34 (2013) 1
- J Med Chem 48: 5666-74 (2005) 1
- Eur J Med Chem 46: 4078-88 (2011) 1
- Eur J Med Chem 102: 375-86 (2015) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- Bioorg Med Chem 19: 542-6 (2011) 1
- Bioorg Med Chem Lett 19: 4706-10 (2009) 1
- Bioorg Med Chem Lett 20: 3050-64 (2010) 1
- Eur J Med Chem 151: 145-157 (2018) 1
Institutions 18 ▿
- [National Institute of Diabetes, Universit£ degli Studi di Cagliari] 8
- [National Institute of Diabetes, Universit£ degli Studi di Cagliari] 8
- [University of Oulu] 3
- [Birla Institute of Technology, University of Bonn, Harvard School of Public Health] 2
- [Birla Institute of Technology, University of Bonn, Harvard School of Public Health] 2
- [Birla Institute of Technology, University of Bonn, Harvard School of Public Health] 2
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
- [University of Basel, Chinese Academy of Sciences, American University of Ras Al Khaimah, Northern Kentucky University, TBA, Johns Hopkins University, The University, Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Qu�bec - Research Center, Qu�bec, Qu�bec, Canada; Department of Molecular Medicine, Faculty of Medicine, Universit� Laval,, Universidad Aut£noma del Estado de Morelos, Chosun University, Meijo University, Josip Juraj Strossmayer University of Osijek] 1
Affinity: 8 to 2.9E+5 nM▿
- Ki 18
- IC50 18
- Kd 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1