BDBM50240501 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate::(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid methyl ester::(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate::CHEMBL295602::Methyl 3-hydroxylup-20(29)-en-28-oate::Methyl 3beta-Hydroxylup-20(29)-en-28-oate::Methyl betulinate::betulinic acid methylester

SMILES COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C

InChI Key InChIKey=XNZIMRUZBOZIBC-UHFFFAOYSA-N

Data  1 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50240501   

TargetG-protein coupled bile acid receptor 1(Human)
Universite Louis Pasteur

Curated by ChEMBL
LigandPNGBDBM50240501((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-methyl 9-hy...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Bovine)
Martin-Luther-Universit£T Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50240501((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-methyl 9-hy...)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/2/2016
Entry Details Article
PubMed