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

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

InChI Key InChIKey=IISBACLAFKSPIT-UHFFFAOYSA-N

Data  25 IC50  2 Kd  5 EC50

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 29608   

TargetAndrogen receptor(Human)
The University of Tokyo

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetGlycogen synthase kinase-3 beta(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human GSK-3beta expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric s...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
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DrugBankKEGGMMDBPC cidPC sidPDBPatentsSimilars

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TargetGTPase KRas(Human)
Ruhr University of Bochum

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataKd:  6.00E+5nMAssay Description:Binding affinity to human K-RAS by NMR analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetGTP-binding protein Rheb(Human)
Ruhr University of Bochum

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataKd:  1.80E+6nMAssay Description:Binding affinity to full-length Rheb (unknown origin) by NMR spectroscopic analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetAndrogen receptor(Rat)
University of Basel

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBReactome pathwayKEGG
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
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TargetEstrogen receptor beta(Human)
Sabic Global Technologies

US Patent

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
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TargetEstrogen-related receptor gamma(Human)
Kyushu University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50:  4.90nMAssay Description:Binding affinity to human ERRgammaMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
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TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Rabbit)
University of Chemistry and Technology Prague

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
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TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 2(Rat)
University of Chemistry and Technology Prague

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of rat cerebellar microsomes SERCA2b by enzyme-coupled methodMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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GoogleScholar

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TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Rabbit)
University of Chemistry and Technology Prague

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50:  2.33E+5nMAssay Description:Inhibition of rabbit microsomes SERCA1a by enzyme-coupled methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
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Ligand InfoPurchaseChEBI
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TargetEstrogen receptor beta(Human)
Sabic Global Technologies

US Patent

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
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TargetEstrogen receptor(Human)
Kyung Hee University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
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Ligand InfoPurchaseChEBI
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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetEstrogen receptor beta(Human)
Sabic Global Technologies

US Patent

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
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TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric sc...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetCasein kinase I isoform epsilon(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric ...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetDual specificity protein kinase CLK1(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
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TargetDual specificity protein kinase CLK2(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair

Target InfoPDB
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TargetDual specificity protein kinase CLK3(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair

Target InfoPDB
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TargetDual specificity protein kinase CLK4(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scinti...More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
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TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scin...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scin...More data for this Ligand-Target Pair

Target InfoPDB
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TargetDual specificity tyrosine-phosphorylation-regulated kinase 2(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scint...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetDual specificity tyrosine-phosphorylation-regulated kinase 3(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scint...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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TargetDual specificity tyrosine-phosphorylation-regulated kinase 4(Human)
Perha Pharmaceuticals

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scint...More data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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TargetEstrogen-related receptor gamma(Human)
Kyushu University

Curated by ChEMBL

LigandBDBM29608(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Copy SMILESCopy InChI

Affinity DataIC50:  13.1nMpH: 7.4 T: 25°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

Target InfoPDBMMDBReactome pathwayKEGG
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Ligand InfoPurchaseChEBI
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PDB3D Structure (crystal)
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