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 O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI Key InChIKey=IKIIZLYTISPENI-ZFORQUDYSA-N

Data  2 KI  16 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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50242173   

TargetATP-binding cassette sub-family C member 2(Rattus norvegicus)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (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 DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Homo sapiens (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 DepthDetails ArticlePubMed
TargetProlyl endopeptidase(Homo sapiens (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 DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (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 DPP4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProlyl endopeptidase(Homo sapiens (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 DepthDetails ArticlePubMed
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
China Pharmaceutical 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 DepthDetails ArticlePubMed
TargetTrypsin(Homo sapiens (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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails ArticlePubMed
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
China Pharmaceutical 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 DepthDetails ArticlePubMed
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
China Pharmaceutical 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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

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 DepthDetails PubMed
TargetAurora kinase B(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Homo sapiens (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 DepthDetails ArticlePubMed