Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM20591'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM20591 (1-methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-y...) Show SMILES Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23-6-10-26(11-7-23)32-19-16-24-22-27(33)12-15-29(24)30(32,2)25-8-13-28(14-9-25)34-21-20-31-17-4-3-5-18-31/h6-15,22,33H,3-5,16-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	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))	BDBM20591 (1-methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-y...) Show SMILES Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23-6-10-26(11-7-23)32-19-16-24-22-27(33)12-15-29(24)30(32,2)25-8-13-28(14-9-25)34-21-20-31-17-4-3-5-18-31/h6-15,22,33H,3-5,16-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.0	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))	BDBM20591 (1-methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-y...) Show SMILES Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H36N2O2/c1-23-6-10-26(11-7-23)32-19-16-24-22-27(33)12-15-29(24)30(32,2)25-8-13-28(14-9-25)34-21-20-31-17-4-3-5-18-31/h6-15,22,33H,3-5,16-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	2.90	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