BindingDB PrimarySearch

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 29608
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Androgen Receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at human pSG5-AR assessed as inhibition of dihydrotestosterone-induced effect by reporter gene assay				Bioorg Med Chem Lett 23: 4031-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.067 BindingDB Entry DOI: 10.7270/Q2X34ZVB
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	757	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase ...				Bioorg Med Chem 28: (2020)
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Agonist activity at estrogen receptor in human MCF7 cells assessed as ERE-mediated transcriptional activity after 24 hrs by luciferase assay				Bioorg Med Chem Lett 26: 1844-8 (2016) Article DOI: 10.1016/j.bmcl.2016.01.089 BindingDB Entry DOI: 10.7270/Q2FB54VV
Kyung Hee University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a
Ruhr University of Bochum Curated by ChEMBL					Assay Description Binding affinity to human K-RAS by NMR analysis				J Med Chem 56: 9664-72 (2014) Article DOI: 10.1021/jm401291q BindingDB Entry DOI: 10.7270/Q2959K11
Ruhr University of Bochum Curated by ChEMBL					More data for this Ligand-Target Pair
GTP-binding protein Rheb (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.80E+6	n/a	n/a	n/a	n/a	n/a
Ruhr University of Bochum Curated by ChEMBL					Assay Description Binding affinity to full-length Rheb (unknown origin) by NMR spectroscopic analysis				J Med Chem 56: 9664-72 (2014) Article DOI: 10.1021/jm401291q BindingDB Entry DOI: 10.7270/Q2959K11
Ruhr University of Bochum Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
SABIC GLOBAL TECHNOLOGIES B.V. US Patent					Assay Description Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...				US Patent US9688816 (2017) BindingDB Entry DOI: 10.7270/Q2WD3XR0
SABIC GLOBAL TECHNOLOGIES B.V. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
SABIC GLOBAL TECHNOLOGIES B.V. US Patent					Assay Description Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...				US Patent US9688816 (2017) BindingDB Entry DOI: 10.7270/Q2WD3XR0
SABIC GLOBAL TECHNOLOGIES B.V. US Patent					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Binding affinity to human ERRgamma				Bioorg Med Chem 25: 5216-5237 (2017) Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
the University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ER-alpha-mediated transcriptional activit...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
the University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
the University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
the University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (Oryctolagus cuniculus)	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (Rattus norvegicus)	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rat cerebellar microsomes SERCA2b by enzyme-coupled method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (Oryctolagus cuniculus)	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit microsomes SERCA1a by enzyme-coupled method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	904	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells in...				Bioorg Med Chem 28: (2020)
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells inc...				Bioorg Med Chem 28: (2020)
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	797	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase...				Bioorg Med Chem 28: (2020)
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-Related Receptor, gamma (Homo sapiens (Human))	BDBM29608 (Bisphenol A (BPA) \| Diphenylolpropane \| US9688816,...) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	7.4	25
Kyushu University					Assay Description The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...				Biochem Biophys Res Commun 373: 408-13 (2008) Article DOI: 10.1016/j.bbrc.2008.06.050 BindingDB Entry DOI: 10.7270/Q22R3Q0N
Kyushu University					More data for this Ligand-Target Pair				3D Structure (crystal)