BindingDB PrimarySearch

BDBM20586 2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol::tetrahydroisoquinoline derivative, 18a

SMILES: Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=FMWVCTJKLAVRPB-UHFFFAOYSA-N

Data: 8 IC50 4 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 20586
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))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	16.5	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
Novartis Pharmaceuticals					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	346	n/a	289	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
Novartis Pharmaceuticals					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	16.5	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 48: 364-79 (2005) Article DOI: 10.1021/jm040858p BindingDB Entry DOI: 10.7270/Q2CC0XZJ
Novartis Pharmaceuticals					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	289	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
University of Calcutta Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16.5	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
University of Calcutta Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	346	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
University of Calcutta Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19.0	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
University of Calcutta Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20586 (2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	346	n/a	289	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 48: 364-79 (2005) Article DOI: 10.1021/jm040858p BindingDB Entry DOI: 10.7270/Q2CC0XZJ
Novartis Pharmaceuticals					More data for this Ligand-Target Pair