BDBM115111 (3R,4aR,5R,7S)-5-cyclopropyl-1-octyl-2-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::(3R,4aR,5R,7S)-5-cyclopropyl-7-isopropyl-2-keto-3-[2-keto-2-(propargylamino)ethyl]-1-octyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester::MLS003874257::SMR002530922::cid_60156978::methyl (3R,4aR,5R,7S)-5-cyclopropyl-1-octyl-2-oxidanylidene-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate::methyl (3R,4aR,5R,7S)-5-cyclopropyl-1-octyl-2-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate

SMILES CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC#C)C[C@@]2([C@H](O[C@H](C=C12)C(C)C)C1CC1)C(=O)OC

InChI Key InChIKey=ZYJFYPRYFBOXTI-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 115111   

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

Curated by PubChem BioAssay
LigandPNGBDBM115111((3R,4aR,5R,7S)-5-cyclopropyl-1-octyl-2-oxo-3-[2-ox...)
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
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay