BDBM20625 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol::4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol::CHEMBL411::Diethylstilbestrol::Diethylstilbestrol (1)::Stilbestrol::Stilboestroform
SMILES: CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
InChI Key: InChIKey=RGLYKWWBQGJZGM-ISLYRVAYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Le Centre Hospitalier Universitaire de Qu£bec Curated by ChEMBL | Assay Description Inhibition of estradiol binding to estrogen receptor in Human Breast cancer cytosol (3.3% ethanol) | J Med Chem 40: 2117-22 (1997) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 0.128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Le Centre Hospitalier Universitaire de Qu£bec Curated by ChEMBL | Assay Description Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanol | J Med Chem 40: 2117-22 (1997) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SignalGene Inc. Curated by ChEMBL | Assay Description In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor alpha | J Med Chem 46: 1408-18 (2003) Article DOI: 10.1021/jm020536q BindingDB Entry DOI: 10.7270/Q20R9Q5J | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SignalGene Inc. Curated by ChEMBL | Assay Description In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor beta | J Med Chem 46: 1408-18 (2003) Article DOI: 10.1021/jm020536q BindingDB Entry DOI: 10.7270/Q20R9Q5J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro agonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells at 10 pM | J Med Chem 44: 1654-7 (2001) Article DOI: 10.1021/jm010086m BindingDB Entry DOI: 10.7270/Q2F47NDX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research Curated by ChEMBL | Assay Description TP_TRANSPORTER: drug resistance(Mitoxantrone) in BCRP-expressing K562 cells | Mol Cancer Ther 2: 105-12 (2003) BindingDB Entry DOI: 10.7270/Q2J104FD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha | J Med Chem 44: 1654-7 (2001) Article DOI: 10.1021/jm010086m BindingDB Entry DOI: 10.7270/Q2F47NDX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro inhibitory concentration against [3H]-17-beta-estradiol binding to human estrogen receptor 2 | J Med Chem 44: 1654-7 (2001) Article DOI: 10.1021/jm010086m BindingDB Entry DOI: 10.7270/Q2F47NDX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of radioligand from Estrogen receptor alpha | Bioorg Med Chem Lett 12: 1283-5 (2002) Article DOI: 10.1016/s0960-894x(02)00144-0 BindingDB Entry DOI: 10.7270/Q2PG1R21 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Pregnane X receptor (PXR) (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Antagonist activity at full length human PXR transfected in human HepG2 cells assessed as reduction in rifaximin-induced receptor transactivation aft... | Eur J Med Chem 103: 551-62 (2015) Article DOI: 10.1016/j.ejmech.2015.09.005 BindingDB Entry DOI: 10.7270/Q2N87CMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde oxidase (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc Curated by ChEMBL | Assay Description Inhibition of human aldehyde oxidase | J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
RWTH Aachen University Curated by ChEMBL | Assay Description Displacement of [3H]-estradiol from human recombinant ERbeta expressed in Sf21 cells after 2 hrs | Bioorg Med Chem Lett 22: 4307-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.018 BindingDB Entry DOI: 10.7270/Q2416Z6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
RWTH Aachen University Curated by ChEMBL | Assay Description Displacement of [3H]-estradiol from human recombinant ERalpha expressed in Sf21 cells after 2 hrs | Bioorg Med Chem Lett 22: 4307-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.018 BindingDB Entry DOI: 10.7270/Q2416Z6R | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
UDP-glucose 4-epimerase (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee Curated by ChEMBL | Assay Description Inhibition of human GalE by HPAEC assay | Bioorg Med Chem Lett 16: 5744-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.091 BindingDB Entry DOI: 10.7270/Q2RJ4K83 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research Curated by ChEMBL | Assay Description TP_TRANSPORTER: drug resistance(SN-38) in BCRP-expressing K562 cells | Mol Cancer Ther 2: 105-12 (2003) BindingDB Entry DOI: 10.7270/Q2J104FD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Rattus norvegicus (Rat)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.41E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Balikesir University | Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ... | J Enzyme Inhib Med Chem 27: 208-10 (2012) Article DOI: 10.3109/14756366.2011.584535 BindingDB Entry DOI: 10.7270/Q28051H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Balikesir University | Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ... | J Enzyme Inhib Med Chem 27: 208-10 (2012) Article DOI: 10.3109/14756366.2011.584535 BindingDB Entry DOI: 10.7270/Q28051H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen-Related Receptor, gamma (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 630 | n/a | n/a | 7.0 | 22 |
GSK | Assay Description Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra... | J Med Chem 48: 3107-9 (2005) Article DOI: 10.1021/jm050161j BindingDB Entry DOI: 10.7270/Q2S46Q77 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 12 | n/a | 0.0600 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals | Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... | J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20625![]() (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 9 | n/a | 0.0200 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals | Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... | J Med Chem 45: 1399-401 (2002) Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 | |||||||||||
More data for this Ligand-Target Pair |