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-QWBHMCJMSA-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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50185127   

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

Curated by ChEMBL
LigandPNGBDBM50185127((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)
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 DepthDetails ArticlePubMed
TargetHigh mobility group protein B1(Homo sapiens (Human))
The Feinstein Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM50185127((3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en...)
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 DepthDetails ArticlePubMed