BDBM51895 4-amyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methylpiperidino)propyl]coumarin::5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methyl-1-piperidinyl)propyl]-4-pentyl-1-benzopyran-2-one::5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propyl]-4-pentyl-chromen-2-one::5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propyl]-4-pentylchromen-2-one::MLS000879429::SMR000465593::cid_16746298

SMILES CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(OC)cc3)c(OC)cc(OC)c12

InChI Key InChIKey=MJJIHQACZGUMQB-UHFFFAOYSA-N

Data  1 IC50  2 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 3 hits for monomerid = 51895   

LigandPNGBDBM51895(4-amyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-m...)
Affinity DataEC50:  1.20E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51895(4-amyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-m...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM51895(4-amyl-5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-m...)
Affinity DataEC50:  9.57E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay