BDBM50262140 (17beta)-estra-1,3,5(10)-triene-2,3,17-triol::2-OH-E2::2-OH-estradiol::2-hydroxy-17beta-estradiol::CHEMBL467987::US10864248, Compound 2::cid_247304::estra-1,3,5(10)-triene-2,3,17beta-triol

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O

InChI Key InChIKey=DILDHNKDVHLEQB-XSSYPUMDSA-N

Data  1 KI  6 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50262140   

TargetDisabled homolog 2(Human)
Trustees Of Dartmouth College

US Patent
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataKi:  1.26E+3nMAssay Description:Fluorescence polarization (FP) data were measured on a microplate reader (Tecan Infinite M1000, Mannedorf, Switzerland) at 27° C. For Kd measurements...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataIC50:  7.25E+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
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataIC50:  2.09E+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
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataIC50:  3.80E+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
TargetAdenylate cyclase type 10(Homo sapiens (Human))
Ruhr-University Bochum

Curated by ChEMBL
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of human recombinant soluble adenylyl cyclaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Rattus norvegicus (Rat))
University of Basel

Curated by ChEMBL
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataIC50:  8.51E+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
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataEC50:  504nMAssay Description:Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Ohio State University

Curated by ChEMBL
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataEC50:  1.66E+3nMAssay Description:Affinity estrogen receptor of MCF-7 human mammary cancer cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataEC50:  4.07E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...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
LigandPNGBDBM50262140((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Affinity DataIC50:  2.50E+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