BDBM54717 4-bromanyl-2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-7-(methylamino)cycloheptan-1-one::4-bromo-2-[(E)-3-(2,3-dimethoxyphenyl)-1-oxoprop-2-enyl]-7-(methylamino)-1-cycloheptanone::4-bromo-2-[(E)-3-(2,3-dimethoxyphenyl)acryloyl]-7-(methylamino)cycloheptanone::4-bromo-2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-7-(methylamino)cycloheptan-1-one::UNM-0000306221::cid_44203220

SMILES CNC1CCC(Br)CC(C(=O)C=Cc2cccc(OC)c2OC)C1=O

InChI Key InChIKey=SHHPSHHSRUDILS-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 54717   

TargetBcl-2-like protein 2(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54717(4-bromanyl-2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-en...)
Affinity DataEC50:  4.73E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
LigandPNGBDBM54717(4-bromanyl-2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-en...)
Affinity DataEC50:  3.74E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54717(4-bromanyl-2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-en...)
Affinity DataEC50:  4.55E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay