BDBM95664 (2R)-2-[(4S,5R)-8-(2-fluorophenyl)-1,1-diketo-4-methyl-5-[[methyl(4-pyridylmethyl)amino]methyl]-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]propan-1-ol::(2R)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-bis(oxidanylidene)-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]propan-1-ol::(2R)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]-1-propanol::(2R)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,,2-benzoxathiazocin-2-yl]propan-1-ol::MLS003130145::SMR001834591::cid_46903543

SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc2cc(ccc2S1(=O)=O)-c1ccccc1F

InChI Key InChIKey=BDZXWMZQBJFLSO-UNVFRBQDSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95664   

TargetNuclear receptor subfamily 5 group A member 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM95664((2R)-2-[(4S,5R)-8-(2-fluorophenyl)-1,1-diketo-4-me...)
Affinity DataIC50: >1.33E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay