BDBM88500 3-hydroxybutanoic acid [(3aS,3bR,5aS,9aS,9bR,11aS)-2-(2-hydroxy-5-oxo-2H-furan-3-yl)-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e]benzofuran-11a-yl]methyl ester::3-hydroxybutyric acid [(3aS,3bR,5aS,9aS,9bR,11aS)-2-(2-hydroxy-5-keto-2H-furan-3-yl)-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e]benzofuran-11a-yl]methyl ester::MLS001250237::SMR001216067::[(3aS,3bR,5aS,9aS,9bR,11aS)-2-(2-hydroxy-5-oxo-2H-furan-3-yl)-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][1]benzofuran-11a-yl]methyl 3-hydroxybutanoate::[(3aS,3bR,5aS,9aS,9bR,11aS)-3b,6,6,9a-tetramethyl-2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][1]benzofuran-11a-yl]methyl 3-oxidanylbutanoate::cid_46902089

SMILES CC(O)CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1CC(O2)C1=CC(=O)OC1O

InChI Key InChIKey=CNOLKJVBUJUUQA-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 88500   

TargetPerilipin-5(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM88500(MLS001250237 | 3-hydroxybutanoic acid [(3aS,3bR,5a...)
Affinity DataIC50: 857nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetPerilipin-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM88500(MLS001250237 | 3-hydroxybutanoic acid [(3aS,3bR,5a...)
Affinity DataIC50: 1.25E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetHepatocyte nuclear factor 4-alpha(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM88500(MLS001250237 | 3-hydroxybutanoic acid [(3aS,3bR,5a...)
Affinity DataIC50: 3.53E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM88500(MLS001250237 | 3-hydroxybutanoic acid [(3aS,3bR,5a...)
Affinity DataEC50: >6.46E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetMelanocortin receptor 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM88500(MLS001250237 | 3-hydroxybutanoic acid [(3aS,3bR,5a...)
Affinity DataEC50: >8.92E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay