BDBM20585 2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol::CHEMBL316080::tetrahydroisoquinoline derivative, 17a
SMILES: Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
InChI Key: InChIKey=HMBSMLATJKWAHH-UHFFFAOYSA-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)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21 | n/a | 10.7 | 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 46: 2945-57 (2003) Article DOI: 10.1021/jm030086h BindingDB Entry DOI: 10.7270/Q2H41PQQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 166 | n/a | 291 | n/a | n/a | n/a | 25 |
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 46: 2945-57 (2003) Article DOI: 10.1021/jm030086h BindingDB Entry DOI: 10.7270/Q2H41PQQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells | Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21.0 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calcutta Curated by ChEMBL | Assay Description Inhibition of binding to human estrogen receptor alpha | Bioorg Med Chem Lett 15: 957-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.048 BindingDB Entry DOI: 10.7270/Q28S4R5W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 291 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calcutta Curated by ChEMBL | Assay Description Inhibition of transcriptional activation by human estrogen receptor beta | Bioorg Med Chem Lett 15: 957-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.048 BindingDB Entry DOI: 10.7270/Q28S4R5W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calcutta Curated by ChEMBL | Assay Description Inhibition of transcriptional activation by human estrogen receptor alpha | Bioorg Med Chem Lett 15: 957-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.048 BindingDB Entry DOI: 10.7270/Q28S4R5W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Calcutta Curated by ChEMBL | Assay Description Inhibition of binding to human estrogen receptor beta | Bioorg Med Chem Lett 15: 957-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.048 BindingDB Entry DOI: 10.7270/Q28S4R5W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells | Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK | |||||||||||
More data for this Ligand-Target Pair |