BDBM21402 N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-{3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl}benzamide::Spirocyclic Isoxazoline, 14a

SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](N=[O+]2)c2ccccc2)CC1

InChI Key InChIKey=MBESHNJYUQJFTA-UHFFFAOYSA-N

Data  2 KI  2 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 2 hits for monomerid = 21402   

TargetBcl-2-like protein 1(Human)
Abbott Laboratories

LigandPNGBDBM21402(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  4.40nM ΔG°:  -11.4kcal/mole EC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2008
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Abbott Laboratories

LigandPNGBDBM21402(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Affinity DataKi:  35.2nM EC50: >5.00E+4nMAssay Description:The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2008
Entry Details Article
PubMed