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

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

InChI Key: InChIKey=ZVSFNBNLNLXEFQ-RQZHXJHFSA-N

Data: 9 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 9 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 GoogleScholar	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-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 B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	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)
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 B.MOAD DrugBank GoogleScholar	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 GoogleScholar	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 B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	PDB Article 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) Article DOI: 10.1016/j.bmc.2017.01.019 BindingDB Entry DOI: 10.7270/Q2DF6TFV
					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 B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	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 GoogleScholar	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 GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	Article 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) Article DOI: 10.1016/j.bmc.2017.01.019 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 B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	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)