BDBM20596 1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol::tetrahydroisoquinoline derivative, 19e

SMILES: CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=LNBPRSYIRUMTPD-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 = 20596   

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))	BDBM20596 (1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrol...) Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H38N2O2/c1-23(2)24-6-10-27(11-7-24)33-19-16-25-22-28(34)12-15-30(25)31(33,3)26-8-13-29(14-9-26)35-21-20-32-17-4-5-18-32/h6-15,22-23,34H,4-5,16-21H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	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))	BDBM20596 (1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrol...) Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H38N2O2/c1-23(2)24-6-10-27(11-7-24)33-19-16-25-22-28(34)12-15-30(25)31(33,3)26-8-13-29(14-9-26)35-21-20-32-17-4-5-18-32/h6-15,22-23,34H,4-5,16-21H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+3	n/a	4.97E+3	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))	BDBM20596 (1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrol...) Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H38N2O2/c1-23(2)24-6-10-27(11-7-24)33-19-16-25-22-28(34)12-15-30(25)31(33,3)26-8-13-29(14-9-26)35-21-20-32-17-4-5-18-32/h6-15,22-23,34H,4-5,16-21H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.0	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
Estrogen receptor (Homo sapiens (Human))	BDBM20596 (1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrol...) Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H38N2O2/c1-23(2)24-6-10-27(11-7-24)33-19-16-25-22-28(34)12-15-30(25)31(33,3)26-8-13-29(14-9-26)35-21-20-32-17-4-5-18-32/h6-15,22-23,34H,4-5,16-21H2,1-3H3	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20596 (1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrol...) Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H38N2O2/c1-23(2)24-6-10-27(11-7-24)33-19-16-25-22-28(34)12-15-30(25)31(33,3)26-8-13-29(14-9-26)35-21-20-32-17-4-5-18-32/h6-15,22-23,34H,4-5,16-21H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.98E+3	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM20596 (1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrol...) Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H38N2O2/c1-23(2)24-6-10-27(11-7-24)33-19-16-25-22-28(34)12-15-30(25)31(33,3)26-8-13-29(14-9-26)35-21-20-32-17-4-5-18-32/h6-15,22-23,34H,4-5,16-21H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+3	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