BDBM29608 Bisphenol A (BPA)::Diphenylolpropane::US9688816, L

SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1

InChI Key InChIKey=IISBACLAFKSPIT-UHFFFAOYSA-N

Data  13 IC50  2 Kd  5 EC50

PDB links: 6 PDB IDs match 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 20 hits for monomerid = 29608   

TargetAndrogen receptor(Homo sapiens (Human))
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  5.90E+3nMAssay Description:Antagonist activity at human pSG5-AR assessed as inhibition of dihydrotestosterone-induced effect by reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyushu University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataEC50:  757nMAssay Description:Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataEC50:  290nMAssay Description:Agonist activity at estrogen receptor in human MCF7 cells assessed as ERE-mediated transcriptional activity after 24 hrs by luciferase assayMore data for this Ligand-Target Pair
TargetGTPase KRas(Homo sapiens (Human))
Ruhr University Of Bochum

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataKd:  6.00E+5nMAssay Description:Binding affinity to human K-RAS by NMR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGTP-binding protein Rheb(Homo sapiens (Human))
Ruhr University Of Bochum

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataKd:  1.80E+6nMAssay Description:Binding affinity to full-length Rheb (unknown origin) by NMR spectroscopic analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  7.41E+4nMAssay 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(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  490nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyushu University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  670nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetEstrogen-related receptor gamma(Homo sapiens (Human))
Kyushu University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  4.90nMAssay Description:Binding affinity to human ERRgammaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  504nMAssay Description:Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assayMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ER-alpha-mediated transcriptional activit...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataEC50:  1.69E+3nMAssay Description:Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...More data for this Ligand-Target Pair
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University Of Chemistry And Technology Prague

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 2(Rattus norvegicus)
University Of Chemistry And Technology Prague

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of rat cerebellar microsomes SERCA2b by enzyme-coupled methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University Of Chemistry And Technology Prague

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  2.33E+5nMAssay Description:Inhibition of rabbit microsomes SERCA1a by enzyme-coupled methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  904nMAssay Description:Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells in...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Kyushu University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  870nMAssay Description:Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells inc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataEC50:  797nMAssay Description:Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase...More data for this Ligand-Target Pair
TargetEstrogen-related receptor gamma(Homo sapiens (Human))
Kyushu University

Curated by ChEMBL
LigandPNGBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Affinity DataIC50:  13.1nMpH: 7.4 T: 2°CAssay Description:The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...More data for this Ligand-Target Pair