BDBM50242173 (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-carboxylic acid::Baicali::Baicalin (9)::CHEMBL485818::baicalin

SMILES c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2

InChI Key InChIKey=IKIIZLYTISPENI-UHFFFAOYSA-N

Data  2 KI  18 IC50  2 Kd  1 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50242173   

TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 3.01E+3nMAssay Description:Inhibition of LSD1 (unknown origin) using H3K4me2 peptide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 3.01E+3nMAssay Description:Inhibition of LSD1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 3.01E+3nMAssay Description:Inhibition of LSD1 (unknown origin) expressed in human MGC-803 cells incubated for 5 days by DAPI staining based immunofluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 3.55E+3nMAssay Description:Inhibition of LSD1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 3.61E+3nMAssay Description:Inhibition of PLK1 T210D mutant kinase domain (unknown origin) using casein as substrate preincubated for 3 hrs followed by substrate addition and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Ly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of SARS-CoV-2 (BetaCoV/Wuhan/WIV04/2019) MPro expressed in Escherichia coli using FRET susbtrate measured after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetATP-binding cassette sub-family C member 2(Rat)
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKi:  7.95E+3nMAssay Description:TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD ratMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataEC50:  1.03E+4nMAssay Description:Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells measured after 48 hrs by qRT-P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKd:  1.15E+4nMAssay Description:Binding affinity to SARS-CoV-2 MPro assessed as dissociation constant by FRET analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKd:  1.15E+4nMAssay Description:Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells by isothermal titration ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKd:  1.15E+4nMAssay Description:Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetProlyl endopeptidase(Human)
Institut De Recerca BiomèDica De Barcelona

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Konkuk University

LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.22E+4nMAssay Description:The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2015
Entry Details Article
PubMed
TargetProlyl endopeptidase(Human)
Institut De Recerca BiomèDica De Barcelona

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.23E+4nMAssay Description:Inhibition of human recombinant POPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKd:  1.24E+4nMAssay Description:Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr by ES...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 1(Human)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.44E+4nMAssay Description:Inhibition of Cdk1/cyclin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKi:  2.54E+4nMAssay Description:Mixed-type inhibition of CYP1A2 in pooled human liver microsomes using varying levels of phenacetin as substrate pretreated for 5 mins followed by su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2019
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 3.47E+4nMAssay Description:Inhibition of SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using DABCYL-KTSAVLQSGFRKME-EDANS as substrate preincubated for 1 hr followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase(Human)
Teikyo University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 4.09E+4nMAssay Description:Inhibition of human recombinant GADPH incubated for 30 mins by absorbance based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 5.56E+4nMAssay Description:Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 30 mins followed by substrate addition by spectrophotome...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 8.34E+4nMAssay Description:Inhibition of C-terminal 6xHis-tagged recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) using Thr-Ser-Ala-Val-Leu-Gln-pNA a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of SARS-CoV-2 spike-mediated pseudovirus entry infected in HEK293T cells expressing human ACE2 preincubated with cell culture for 2 hrs an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetRenin(Human)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.20E+5nMAssay Description:Inhibition of recombinant human renin using Arg-Glu(EDANS)-lle-His-Pro-Phe-His-Leu-Val-lle-His-Thr-Lys(dabcyl)-Arg as substrate incubated for 5 to 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.23E+5nMAssay Description:Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 30 mins followed by substrate addition measured for 200 secs ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.57E+5nMAssay Description:Inhibition of xanthine oxidase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.78E+5nMAssay Description:Inhibition of SARS-CoV-2 PLpro using Ubiquitin-AMC as substrate by continuous kinetic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Tom'S of Maine

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 2.00E+5nMAssay Description:Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Institut De Recerca BiomèDica De Barcelona

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 2.25E+5nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetTrypsin(Human)
Ehime University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of trypsin-induced elevation in PAI1 production in HUVEC by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2020
Entry Details Article
PubMed
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 2.24E+6nMAssay Description:Inhibition of ACE (unknown origin) using Hippuryo-histidyl-leucine as substrate incubated for 40 mins by absorbance based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed