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-UHFFFAOYSA-N

Data  8 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 34649   

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

Curated by PubChem BioAssay
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetAndrogen receptor(Rat)
University of Basel

Curated by ChEMBL
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
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 Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Ohio State University

Curated by ChEMBL
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
Affinity DataEC50:  65nMAssay Description:Induction of pS2 Gene expression in human MCF-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2020
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Ohio State University

Curated by ChEMBL
LigandPNGBDBM34649(1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL | SMR000058...)
Affinity DataEC50:  506nMAssay Description:Affinity for estrogen receptor of human MCF-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2020
Entry Details Article
PubMed