Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM20599'   

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))	BDBM20599 (2-(3-hydroxyphenyl)-1-methyl-1-{4-[2-(piperidin-1-...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c1-29(23-8-11-27(12-9-23)34-19-18-30-15-3-2-4-16-30)28-13-10-26(33)20-22(28)14-17-31(29)24-6-5-7-25(32)21-24/h5-13,20-21,32-33H,2-4,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	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))	BDBM20599 (2-(3-hydroxyphenyl)-1-methyl-1-{4-[2-(piperidin-1-...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c1-29(23-8-11-27(12-9-23)34-19-18-30-15-3-2-4-16-30)28-13-10-26(33)20-22(28)14-17-31(29)24-6-5-7-25(32)21-24/h5-13,20-21,32-33H,2-4,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.0	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))	BDBM20599 (2-(3-hydroxyphenyl)-1-methyl-1-{4-[2-(piperidin-1-...) Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H34N2O3/c1-29(23-8-11-27(12-9-23)34-19-18-30-15-3-2-4-16-30)28-13-10-26(33)20-22(28)14-17-31(29)24-6-5-7-25(32)21-24/h5-13,20-21,32-33H,2-4,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	0.700	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