BDBM115112 (3S,3aR)-1-allyl-2-keto-3-(2-keto-2-thiomorpholino-ethyl)-4,5,6,7-tetrahydro-3H-cyclohepta[b]pyrrole-3a-carboxylic acid methyl ester::(3S,3aR)-2-oxo-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1-prop-2-enyl-4,5,6,7-tetrahydro-3H-cyclohepta[b]pyrrole-3a-carboxylic acid methyl ester::MLS004259454::SMR003089419::cid_60158113::methyl (3S,3aR)-2-oxidanylidene-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-1-prop-2-enyl-4,5,6,7-tetrahydro-3H-cyclohepta[b]pyrrole-3a-carboxylate::methyl (3S,3aR)-2-oxo-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1-prop-2-enyl-4,5,6,7-tetrahydro-3H-cyclohepta[b]pyrrole-3a-carboxylate

SMILES COC(=O)[C@@]12CCCCC=C1N(CC=C)C(=O)[C@H]2CC(=O)N1CCSCC1

InChI Key InChIKey=YNXKXWXNLSKNND-FOIQADDNSA-N

Data  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 1 hit for monomerid = 115112   

TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM115112((3S,3aR)-1-allyl-2-keto-3-(2-keto-2-thiomorpholino...)
Affinity DataEC50:  6.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay