BDBM54946 (2S)-2-[[(2S)-1-oxo-2-[[1-oxo-3-(3,5,9-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propyl]amino]propyl]amino]-3-phenylpropanoic acid::(2S)-2-[[(2S)-2-[3-(7-keto-3,5,9-trimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]-3-phenyl-propionic acid::(2S)-3-phenyl-2-[[(2S)-2-[3-(3,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]propanoic acid::(2S)-3-phenyl-2-[[(2S)-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]propanoic acid::MLS001140219::SMR000650880::cid_16405959

SMILES C[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=GWJPZODEJKTZCR-MBSDFSHPSA-N

Data  3 IC50

  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 = 54946   

TargetPlectin(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54946((2S)-2-[[(2S)-1-oxo-2-[[1-oxo-3-(3,5,9-trimethyl-7...)
Affinity DataIC50:  1.14E+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
In DepthDetails PCBioAssay
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54946((2S)-2-[[(2S)-1-oxo-2-[[1-oxo-3-(3,5,9-trimethyl-7...)
Affinity DataIC50:  3.61E+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
In DepthDetails PCBioAssay
TargetPlectin(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54946((2S)-2-[[(2S)-1-oxo-2-[[1-oxo-3-(3,5,9-trimethyl-7...)
Affinity DataIC50:  1.68E+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
In DepthDetails PCBioAssay