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.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50245647   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin D (Human)	BDBM50245647 (3-Oxours-12-en-28-oic Acid | (1S,2R,4aS,6aS,6bR,8a...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Aromatase (Human)	BDBM50245647 (3-Oxours-12-en-28-oic Acid | (1S,2R,4aS,6aS,6bR,8a...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Glycogen phosphorylase, muscle form (Rabbit)	BDBM50245647 (3-Oxours-12-en-28-oic Acid | (1S,2R,4aS,6aS,6bR,8a...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair