BDBM50245647 (1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid::3-Oxours-12-en-28-oic Acid::3-oxo-12-ursen-28-oic acid::3-oxo-urs-12-en-28-oic acid::CHEMBL487887

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O

InChI Key InChIKey=MUCRYNWJQNHDJH-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50245647   

TargetCathepsin D(Human)TBA
LigandPNGBDBM50245647(3-Oxours-12-en-28-oic Acid | (1S,2R,4aS,6aS,6bR,8a...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of cathepsin D (unknown origin) using hemoglobin as substrate after 30 min by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article

TargetGlycogen phosphorylase, muscle form(Rabbit)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50245647(3-Oxours-12-en-28-oic Acid | (1S,2R,4aS,6aS,6bR,8a...)
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins by microplate reader bas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetAromatase(Human)
Universidade Federal Do Rio Grande Do Sul (Ufrgs)

Curated by ChEMBL
LigandPNGBDBM50245647(3-Oxours-12-en-28-oic Acid | (1S,2R,4aS,6aS,6bR,8a...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of aromatase in human placental microsomes assessed as tritiated water release after 15 mins using [1-beta, 3H]androstenedione as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed