BDBM34649 (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol::1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL::4-hydroxyestradiol-17 beta::MLS000069567::SMR000058747::cid_5282360

SMILES C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O

InChI Key InChIKey=QOZFCKXEVSGWGS-ZHIYBZGJSA-N

Data  8 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 10 hits for monomerid = 34649   

TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50:  2.90E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum 3D7)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50:  1.22E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProcathepsin L(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50: >5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50:  2.91E+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
TargetEstrogen receptor beta(Homo sapiens (Human))
Ohio State University

Curated by ChEMBL
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataEC50:  506nMAssay Description:Affinity for estrogen receptor of human MCF-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50:  2.23E+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
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50:  4.13E+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
TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50:  2.57E+3nMAssay Description:Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Ohio State University

Curated by ChEMBL
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataEC50:  65nMAssay Description:Induction of pS2 Gene expression in human MCF-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...)
Affinity DataIC50:  4.02E+3nMAssay 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