BindingDB BDBM7461 5,7-dihydroxy-2-phenyl-4H-chromen-4-one::5,7-dihydroxy-2-phenyl-chromen-4-one::5,7-dihydroxyflavone::CHEMBL117::chrysin::cid

BDBM7461 5,7-dihydroxy-2-phenyl-4H-chromen-4-one::5,7-dihydroxy-2-phenyl-chromen-4-one::5,7-dihydroxyflavone::CHEMBL117::chrysin::cid_5281607

SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1

InChI Key InChIKey=RTIXKCRFFJGDFG-UHFFFAOYSA-N

Data 21 KI 57 IC50 1 Kd 1 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 7461

Carbonic anhydrase 4(Homo sapiens (Human))
Aristotle University Of Thessaloniki

Curated by ChEMBL

BDBM7461(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)

Ki: 538nM ΔG°: -8.55kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair

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Filter my 80 hits

Targets 50▿
- Neuraminidase 5
- Cytochrome P450 1B1 4
- Cytochrome P450 1A2 4
- Integrase 3
- Carbonic anhydrase 12 3
- Cytochrome P450 1A1 3
- Carbonic anhydrase 1 3
- Aromatase 3
- Carbonic anhydrase 2 3
- Aldo-keto reductase family 1 member B1 2
- Xanthine dehydrogenase/oxidase 2
- Carbonyl reductase [NADPH] 1 2
- Broad substrate specificity ATP-binding cassette transporter ABCG2 2
- Proteasome subunit beta type-5 2
- Carbonic anhydrase 9 2
- Serine/threonine-protein kinase pim-1 2
- Glycogen synthase kinase-3 beta 2
- Death-associated protein kinase 1 1
- Tyrosine-protein kinase Lck 1
- 3-oxoacyl-acyl-carrier protein reductase 1
- Steroidogenic factor 1 1
- Casein kinase II subunit alpha 3 1
- Cyclin-dependent kinase 6 1
- Nuclear receptor subfamily 0 group B member 1 1
- Sialidase-2 1
- ATP-dependent translocase ABCB1 1
- Dipeptidyl peptidase 3 1
- Calmodulin-1 1
- Aldo-keto reductase family 1 member B1 [K65Q] 1
- Cytochrome P450 2C9 1
- Mitogen-activated protein kinase 14 1
- Cytochrome P450 2A6 1
- Cytochrome P450 3A4 1
- Receptor-type tyrosine-protein kinase FLT3 1
- Cyclin-dependent kinase 5 activator 1 [99-307] 1
- Peroxisome proliferator-activated receptor gamma 1
- DNA gyrase subunit A/B 1
- Prostaglandin G/H synthase 2 1
- Prostaglandin G/H synthase 1 1
- Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B 1
- Mitogen-activated protein kinase 10 1
- Solute carrier organic anion transporter family member 2B1 1
- Urease subunit beta 1
- Seed linoleate 13S-lipoxygenase-1 1
- Cyclin homolog/dependent kinase 6 1
- Carbonic anhydrase 7 1
- Lactoylglutathione lyase 1
- Cytochrome P450 2D6 1
- Carbonic anhydrase 4 1
- Cytochrome P450 2B6 1
Publications 41▿
- Bioorg Med Chem Lett 22: 3063-6 (2012) 8
- Bioorg Med Chem 23: 7219-25 (2015) 5
- Bioorg Med Chem Lett 20: 6008-12 (2010) 4
- J Med Chem 56: 4082-92 (2013) 4
- J Med Chem 48: 737-43 (2005) 4
- Eur J Med Chem 135: 296-306 (2017) 3
- Bioorg Med Chem 18: 6310-5 (2010) 3
- Bioorg Med Chem 22: 3146-58 (2014) 3
- Bioorg Med Chem 16: 7141-7 (2008) 3
- Chembiochem 11: 2579-88 (2010) 2
- Bioorg Med Chem 19: 2842-9 (2011) 2
- Bioorg Med Chem 19: 2090-102 (2011) 2
- Bioorg Med Chem Lett 24: 77-82 (2014) 2
- Eur J Med Chem 167: 291-311 (2019) 2
- Eur J Med Chem 45: 1724-30 (2010) 2
- Bioorg Med Chem 17: 530-6 (2009) 2
- PubChem Bioassay (2010) 1
- Eur J Med Chem 46: 4078-88 (2011) 1
- Eur J Med Chem 72: 137-45 (2014) 1
- PubChem Bioassay (2013) 1
- J Med Chem 58: 7400-8 (2015) 1
- Bioorg Med Chem Lett 20: 3050-64 (2010) 1
- Bioorg Med Chem 20: 2603-13 (2012) 1
- Bioorg Med Chem 16: 3245-54 (2008) 1
- J Nat Prod 55: 1529-1560 (1992) 1
- J Nat Prod 61: 71-6 (1998) 1
- Bioorg Med Chem 19: 542-6 (2011) 1
- Bioorg Med Chem Lett 21: 1222-6 (2011) 1
- J Med Chem 49: 3345-53 (2006) 1
- Mol Cancer Ther 6: 163-72 (2007) 1
- Chem Biol Drug Des 89: 619-627 (2017) 1
- Bioorg Med Chem Lett 23: 1768-70 (2013) 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
- Eur J Med Chem 102: 375-86 (2015) 1
- Bioorg Med Chem 18: 3020-5 (2010) 1
- Eur J Med Chem 135: 491-516 (2017) 1
- Bioorg Med Chem 18: 1633-40 (2010) 1
- Eur J Med Chem 63: 685-95 (2013) 1
- PubChem Bioassay (2013) 1
Institutions 38▿
- Universit£ 11
- Aristotle University Of Thessaloniki 5
- Xavier University Of Louisiana 4
- Lawrence Berkeley National Laboratory 4
- Sun Yat-Sen University 4
- University Of Shizuoka 3
- South China Normal University 3
- Peking Union Medical College 3
- Central South University 2
- Eberhard Karls University of Tuebingen 2
- Institute Of Agricultural And Food Biotechnology 2
- Universidad De Buenos Aires 2
- University Of Crete 2
- UniversitäT TüBingen 2
- The Scripps Research Institute Molecular Screening Center 2
- University Of Bonn 2
- Guru Nanak Dev University 2
- Loma Linda University 1
- Johns Hopkins University 1
- Monash University 1
- China Pharmaceutical University 1
- University Of Antwerp 1
- Chosun University 1
- University Of Toyama 1
- Loma Linda University School Of Medicine 1
- Uniroyal Chemical 1
- University Of Nis 1
- Broad Institute 1
- American University Of Ras Al Khaimah 1
- Dongguk University-Seoul 1
- Hokkaido University 1
- TBA 1
- Northern Kentucky University 1
- Universidade Do Porto 1
- University Of Zurich 1
- Josip Juraj Strossmayer University of Osijek 1
- Jishou University 1
- Universidad Aut£Noma Del Estado De Morelos 1
Affinity: 1 to 2.0E+6 nM▿
- Ki 21
- IC50 57
- Kd 1
- EC50 1
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 2
Catalog Cmpds: 1