BDBM20588 1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol::tetrahydroisoquinoline derivative, 20a

SMILES: CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=AIFWSSWVFCKBHO-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 = 20588   

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))	BDBM20588 (1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	2.60	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))	BDBM20588 (1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	83	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))	BDBM20588 (1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	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))	BDBM20588 (1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	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
Estrogen receptor (Homo sapiens (Human))	BDBM20588 (1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.0	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))	BDBM20588 (1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83.0	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