BDBM22435 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-en-1-yl]phenol::4-hydroxytamoxifen (4-OHT) analog, 15::GSK 5182::US10934303, Example GSK5182

SMILES: CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1

InChI Key: InChIKey=ZVSFNBNLNLXEFQ-RQZHXJHFSA-N

Data: 25 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 22435   

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))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...				US Patent US10934303 (2021)
					More data for this Ligand-Target Pair
Estrogen-related receptor alpha (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRalpha (unknown origin) after 1 hr by TR-FRET assay				Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR2 (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (unknown origin) after 1 hr by TR-FRET assay				Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay				Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...				Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay				Eur J Med Chem 120: 338-52 (2016) Article DOI: 10.1016/j.ejmech.2016.04.076 BindingDB Entry DOI: 10.7270/Q2TH8PN2
					More data for this Ligand-Target Pair
Steroid hormone receptor ERR2 (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Beckman Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...				Bioorg Med Chem 25: 1585-1599 (2017) BindingDB Entry DOI: 10.7270/Q2DF6TFV
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Beckman Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused mouse ERRgamma ligand binding domain expressed in African green monkey CV1 cells assessed a...				Bioorg Med Chem 25: 1585-1599 (2017) BindingDB Entry DOI: 10.7270/Q2DF6TFV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair				3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor beta (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRbeta (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG after 4 hrs by fluorescence polarization assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Steroid hormone receptor ERR1 (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor beta (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Binding affinity to ERRbeta (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG after 4 hrs by fluorescence polarization assay				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation Curated by ChEMBL					Assay Description Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...				J Med Chem 62: 1837-1858 (2019) Article DOI: 10.1021/acs.jmedchem.8b01296
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen-related receptor gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB US Patent	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description ERRγ: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 μM to a fina...				US Patent US10934303 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid hormone receptor ERR1/Estrogen-related receptor alpha (ERRa) (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...				US Patent US10934303 (2021)
					More data for this Ligand-Target Pair
Estrogen-related receptor beta (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...				US Patent US10934303 (2021)
					More data for this Ligand-Target Pair
Estrogen-Related Receptor, gamma (Homo sapiens (Human))	BDBM22435 (4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...				Bioorg Med Chem Lett 16: 821-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.030 BindingDB Entry DOI: 10.7270/Q2WW7FZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)