BindingDB

null

SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O

InChI Key InChIKey=VCCRNZQBSJXYJD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049391

Cytochrome P450 1B1(Homo sapiens (Human))
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,

Curated by ChEMBL

BDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)copy SMILEScopy InChI

IC50: 3nMAssay Description:Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in pre...More data for this Ligand-Target Pair

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

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Details Article
BindingDB Entry DOI: 10.7270/Q26Q20QWPubMed

BDBM50049391(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)copy SMILEScopy InChI

IC50: 25nMAssay Description:Inhibition of human CYP1B1 by EROD assayMore data for this Ligand-Target Pair

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

Purchase CHEMBL MCE
KEGG PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2GB248DPubMed

Targets 33 ▿
- Adenosine receptor A2a 4
- Adenosine receptor A3 3
- Cytochrome P450 1B1 2
- Adenosine receptor A1 2
- Dihydroorotate dehydrogenase (fumarate) 2
- Amyloid-beta precursor protein 2
- Acetylcholinesterase 2
- ATP-dependent translocase ABCB1 2
- Carbonic anhydrase 12 1
- Tyrosine-protein kinase Lck 1
- Carbonic anhydrase 1 1
- 3-oxoacyl-acyl-carrier protein reductase 1
- Short transient receptor potential channel 5 1
- Cytochrome P450 1A1 1
- Histone-lysine N-methyltransferase SETD7 1
- Cytochrome P450 1A2 1
- Dipeptidyl peptidase 3 1
- Aromatase 1
- Polyphenol oxidase 2 1
- Mitochondrial import inner membrane translocase subunit TIM10 1
- Aurora kinase B 1
- Receptor-type tyrosine-protein kinase FLT3 1
- DNA gyrase subunit A/B 1
- Peroxisome proliferator-activated receptor gamma 1
- Amine oxidase [flavin-containing] B 1
- Amine oxidase [flavin-containing] A 1
- Cholinesterase 1
- Xanthine dehydrogenase/oxidase 1
- Carbonic anhydrase 7 1
- Protein disulfide-isomerase 1
- Carbonic anhydrase 2 1
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 1
- Carbonic anhydrase 4 1
Publications 26 ▿
- Bioorg Med Chem 23: 7219-25 (2015) 5
- Bioorg Med Chem 18: 6310-5 (2010) 3
- J Med Chem 40: 2588-95 (1997) 3
- J Med Chem 39: 781-8 (1996) 3
- Eur J Med Chem 45: 186-92 (2010) 2
- Eur J Med Chem 157: 852-866 (2018) 2
- J Nat Prod 79: 2538-2544 (2016) 2
- J Med Chem 39: 2293-301 (1996) 2
- Chem Biol Drug Des 89: 619-627 (2017) 1
- Bioorg Med Chem Lett 23: 1768-70 (2013) 1
- Bioorg Med Chem 16: 8466-70 (2008) 1
- Bioorg Med Chem 28: (2020) 1
- Eur J Med Chem 46: 4078-88 (2011) 1
- Bioorg Med Chem Lett 11: 75-7 (2001) 1
- J Med Chem 63: 1937-1963 (2020) 1
- J Med Chem 62: 7589-7602 (2019) 1
- J Biol Chem 288: 23212-24 (2013) 1
- Eur J Med Chem 135: 296-306 (2017) 1
- Bioorg Med Chem 17: 6048-53 (2009) 1
- Bioorg Med Chem 24: 304-13 (2016) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- J Med Chem 41: 46-52 (1998) 1
- J Nat Prod 61: 71-6 (1998) 1
- PubChem Bioassay (2011) 1
- J Med Chem 49: 3345-53 (2006) 1
- Chem Biol Drug Des 85: 574-85 (2015) 1
Institutions 23 ▿
- [National Institute of Diabetes] 6
- [Aristotle University of Thessaloniki] 5
- [NIDDK, University of Shizuoka] 3
- [NIDDK, University of Shizuoka] 3
- [Kyoto University, University of S£o Paulo, Institute for Medical Research and Occupational Health, Temple University] 2
- [Kyoto University, University of S£o Paulo, Institute for Medical Research and Occupational Health, Temple University] 2
- [Kyoto University, University of S£o Paulo, Institute for Medical Research and Occupational Health, Temple University] 2
- [Kyoto University, University of S£o Paulo, Institute for Medical Research and Occupational Health, Temple University] 2
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
- [China Pharmaceutical University, Konkuk 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,, King's College London, Chosun University, University of Zurich, Dongguk University-Seoul, University of Nebraska Medical Center, Burnham Center for Chemical Genomics, TBA, University of Antwerp, Département de Pharmacochimie Moléculaire UMR-CNRS 5063, University of Chemistry and Technology Prague, Josip Juraj Strossmayer University of Osijek, Kyoto Pharmaceutical University] 1
Affinity: 3 to 1.9E+6 nM▿
- Ki 19
- IC50 23
- Kd 2
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1