BDBM50241367 2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one::CHEMBL251254::quercetin 3-O-beta-D-glucopyranoside

SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O

InChI Key InChIKey=DPFYPHSPTUZJJT-UHFFFAOYSA-N

Data  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50241367   

TargetAldo-keto reductase family 1 member B1(Human)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 2.18E+4nMAssay Description:Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus (strain A/USSR/90/1977 H1N1))
Freie Universitaet Berlin

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 8.55E+4nMAssay Description:Inhibition of influenza A virus (A/Perth/16/2009(H3N2)) neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2016
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus (strain A/USSR/90/1977 H1N1))
Freie Universitaet Berlin

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 6.25E+4nMAssay Description:Inhibition of influenza A virus (A/California/07/2009(H1N1)) pdm09 neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2016
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Dongguk University-Seoul

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
Korea Institute of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.39E+5nMAssay Description:Inhibition of HIV1 recombinant integrase expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
Target2-5A-dependent ribonuclease(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.63E+3nMAssay Description:Inhibition of recombinant full length H-RNAase L (1 to 741 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate in presence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
Target2-5A-dependent ribonuclease(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.36E+3nMAssay Description:Inhibition of full length H-RNAase L expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate incubated for 15 min in presence of 1 nM 2-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
Target2-5A-dependent ribonuclease(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.32E+3nMAssay Description:Inhibition of full length H-RNAase L expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate incubated for 15 min in presence of 5 nM 2-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
Target2-5A-dependent ribonuclease(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.42E+3nMAssay Description:Inhibition of full length H-RNAase L expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate incubated for 15 min in presence of 20 nM 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human CYP2D6 preincubated for 5 min by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetTyrosinase(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 0.762nMAssay Description:Inhibition of tyrosinase (unknown origin) using DOPA as substrate incubated for 15 min by spectrophotometer assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
LigandPNGBDBM50241367(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-((2S,4R,5...)
Affinity DataIC50: 1.26E+5nMAssay Description:Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed