BDBM20589 1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol::tetrahydroisoquinoline derivative, 26a

SMILES: CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1

InChI Key: InChIKey=JIJPAWIWJLCFNW-UHFFFAOYSA-N

Data: 6 IC50  2 EC50

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 6 hits for monomerid = 20589   

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))	BDBM20589 (1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phe...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-30(25-11-14-28(15-12-25)34-22-21-31-18-7-2-3-8-19-31)29-16-13-27(33)23-24(29)17-20-32(30)26-9-5-4-6-10-26/h4-6,9-16,23,33H,2-3,7-8,17-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	1.5	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
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20589 (1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phe...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-30(25-11-14-28(15-12-25)34-22-21-31-18-7-2-3-8-19-31)29-16-13-27(33)23-24(29)17-20-32(30)26-9-5-4-6-10-26/h4-6,9-16,23,33H,2-3,7-8,17-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	80	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
Estrogen receptor (Homo sapiens (Human))	BDBM20589 (1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phe...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-30(25-11-14-28(15-12-25)34-22-21-31-18-7-2-3-8-19-31)29-16-13-27(33)23-24(29)17-20-32(30)26-9-5-4-6-10-26/h4-6,9-16,23,33H,2-3,7-8,17-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.0	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))	BDBM20589 (1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phe...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-30(25-11-14-28(15-12-25)34-22-21-31-18-7-2-3-8-19-31)29-16-13-27(33)23-24(29)17-20-32(30)26-9-5-4-6-10-26/h4-6,9-16,23,33H,2-3,7-8,17-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80.0	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))	BDBM20589 (1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phe...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-30(25-11-14-28(15-12-25)34-22-21-31-18-7-2-3-8-19-31)29-16-13-27(33)23-24(29)17-20-32(30)26-9-5-4-6-10-26/h4-6,9-16,23,33H,2-3,7-8,17-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20589 (1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phe...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-30(25-11-14-28(15-12-25)34-22-21-31-18-7-2-3-8-19-31)29-16-13-27(33)23-24(29)17-20-32(30)26-9-5-4-6-10-26/h4-6,9-16,23,33H,2-3,7-8,17-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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