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-AOLYGAPISA-N

Data  6 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50244879   

TargetRhodopsin(Bos taurus)
Washington University

Curated by ChEMBL
LigandPNGBDBM50244879((1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14b...)
Affinity DataEC50:  1.20E+5nMAssay Description:Binding affinity to photoactivated rhodopsin in bovine retinal rod outer-segment membranes assessed as induction of extra receptor MII state stabiliz...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhodopsin(Bos taurus)
Washington University

Curated by ChEMBL
LigandPNGBDBM50244879((1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14b...)
Affinity DataIC50:  1.80E+5nMAssay Description:Inhibition of bovine retinal rod outer-segment photoactivated rhodopsin-transducin interaction by transducin release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50244879((1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14b...)
Affinity DataIC50:  1.24E+4nMAssay Description:Inhibition of PTP1B (unknown origin) by pNPP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin carboxyl-terminal hydrolase 7(Homo sapiens (Human))TBA
LigandPNGBDBM50244879((1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14b...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human USP7 using human N-terminal GST-tagged UBA52 as substrate preincubated for 10 mins followed by substrate addition measured after ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50244879((1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14b...)
Affinity DataIC50:  1.24E+4nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50244879((1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14b...)
Affinity DataIC50:  1.24E+4nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50244879((1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14b...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of TCPTP (unknown origin) by pNPP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed