BDBM76777 7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypropyl)-2-benzopyran-1-one::7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypropyl)isochromen-1-one::7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypropyl)isocoumarin::7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-oxidanylpropyl)isochromen-1-one::MLS002402814::SMR001370582::cid_44142298

SMILES COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1

InChI Key InChIKey=LFNLHHDSPPMHLQ-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 76777   

TargetSentrin-specific protease 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76777(7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...)
Affinity DataIC50:  7.16E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetOrotidine 5'-phosphate decarboxylase(Aspergillus niger)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM76777(7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...)
Affinity DataEC50: >5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76777(7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...)
Affinity DataIC50:  1.06E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetCaspase-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76777(7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...)
Affinity DataIC50:  2.10E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay