BindingDB PrimarySearch

BDBM50121317 1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene::4,4'-(2-phenylbut-1-ene-1,1-diyl)diphenol::4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenol::CHEMBL149791

SMILES: [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1

InChI Key: InChIKey=BPKSDMHGDYTXLI-UHFFFAOYSA-N

Data: 5 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50121317
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis				J Med Chem 57: 4569-83 (2014) Article DOI: 10.1021/jm500569h BindingDB Entry DOI: 10.7270/Q2H996R4
Georgetown University Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Free University of Berlin Curated by ChEMBL					Assay Description Antiestrogenic activity in MCF-7-2a cells as concentration required to reduce estradiol effect by 50%				J Med Chem 45: 5358-64 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G19
Free University of Berlin Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant human microsomal CYP19 using MFC as substrate measured after 30 mins by fluorometric analysis				Bioorg Med Chem 24: 5400-5409 (2016) Article DOI: 10.1016/j.bmc.2016.08.064 BindingDB Entry DOI: 10.7270/Q2JQ12ZK
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	307	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of fluorescent ES2 from recombinant human ERbeta after 2 hrs in absence of light by fluorometric analysis				Bioorg Med Chem 24: 5400-5409 (2016) Article DOI: 10.1016/j.bmc.2016.08.064 BindingDB Entry DOI: 10.7270/Q2JQ12ZK
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	n/a	307	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	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
Estrogen receptor (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	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
Estrogen receptor (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50121317 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene \| 4,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin prei...				J Med Chem 56: 4611-8 (2013) Article DOI: 10.1021/jm400364h BindingDB Entry DOI: 10.7270/Q2TX3GR5
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair