BDBM50185127 (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid::30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid::CHEMBL441687::glycyrrhizic acid::glycyrrhizinic acid::glyzyrrhizin

SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O

InChI Key InChIKey=LPLVUJXQOOQHMX-UHFFFAOYSA-N

Data  5 KI  8 IC50  4 Kd  3 EC50

  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 20 hits for monomerid = 50185127   

TargetHigh mobility group protein B1(Human)
The Feinstein Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKd:  1.03E+5nMAssay Description:Binding affinity to recombinant HMGB1 A box region (1 to 89 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-based ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2020
Entry Details Article
PubMed
TargetHigh mobility group protein B1(Human)
The Feinstein Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKd:  1.50E+5nMAssay Description:Binding affinity to full-length N-terminal 6His-tagged HMGB1 (unknown origin) by NMR spectraMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetBeta-glucuronidase(Rat)
University of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 9.72E+4nMAssay Description:Inhibition of rat liver beta-glucuronidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetBeta-glucuronidase(Escherichia coli (strain K12))
University of Kwazulu-Natal

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 1.22E+4nMAssay Description:Inhibition of Escherichia coli beta-glucuronidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetHigh mobility group protein B1(Human)
The Feinstein Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKd:  8.70E+4nMAssay Description:Binding affinity to recombinant HMGB1 B box region (90 to 175 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2020
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant PTP1BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed
TargetPancreatic alpha-amylase(Pig)
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 15 mins followed by substrate addition measured after 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/26/2020
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase type 2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 1nMAssay Description:Inhibition of human microsomal 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 8nMAssay Description:Inhibition of mouse microsomal 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human microsomal 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataIC50: 15nMAssay Description:Inhibition of mouse liver microsome 11betaHSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
TargetHigh mobility group protein B1(Human)
The Feinstein Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKd:  1.50E+5nMAssay Description:Binding affinity to HMGB1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataEC50:  10nMAssay Description:Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase type 2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataEC50:  1nMAssay Description:Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataEC50:  8nMAssay Description:Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetATP-binding cassette sub-family C member 2(Rat)
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKi:  840nMAssay 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
TargetATP-binding cassette sub-family C member 2(Rat)
University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKi:  1.91E+3nMAssay Description:TP_TRANSPORTER: inhibition of SN-38 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
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKi:  6.10E+3nMAssay Description:TP_TRANSPORTER: inhibition of E1S uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKi:  1.25E+4nMAssay Description:TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50185127(30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-be...)
Affinity DataKi:  1.59E+4nMAssay Description:TP_TRANSPORTER: inhibition of E1S uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed