BDBM50244879 (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid::CHEMBL481854::madecassic acid

SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@H]1C)C(O)=O

InChI Key: InChIKey=PRAUVHZJPXOEIF-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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 7 hits for monomerid = 50244879   

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
Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM50244879 (madecassic acid | (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM50244879 (madecassic acid | (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Ubiquitin carboxyl-terminal hydrolase 7 (Human)	BDBM50244879 (madecassic acid | (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Rhodopsin (Bovine)	BDBM50244879 (madecassic acid | (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a
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Rhodopsin (Bovine)	BDBM50244879 (madecassic acid | (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM50244879 (madecassic acid | (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein phosphatase non-receptor type 2 (Human)	BDBM50244879 (madecassic acid | (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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