BDBM50226463 (5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,5,5a,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[2,1-c]furan-3(5bH)-one::12-O-deacetyl-12-epi-19-deoxyscalarin::12-O-deacetyl-25-deoxy-12-episcalarin::12-deacetyl-12-epi-19-deoxyscalarin::12-epi-O-deacetyl-19-deoxyscalarin::25-dehydroxy-12-epi-deacetylscalarin::CHEMBL250263

SMILES: CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21

InChI Key: InChIKey=XJAQPGLKAWWKLX-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50226463   

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
Bile acid receptor (Human)	BDBM50226463 (12-deacetyl-12-epi-19-deoxyscalarin | 12-O-deacety...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
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