Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50149505'   

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))	BDBM50149505 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H27NO4S/c28-20-7-3-19(4-8-20)26-25(31-23-12-9-21(29)17-24(23)32-26)18-5-10-22(11-6-18)30-16-15-27-13-1-2-14-27/h3-12,17,25-26,28-29H,1-2,13-16H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3865-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.073 BindingDB Entry DOI: 10.7270/Q279444V
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149505 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H27NO4S/c28-20-7-3-19(4-8-20)26-25(31-23-12-9-21(29)17-24(23)32-26)18-5-10-22(11-6-18)30-16-15-27-13-1-2-14-27/h3-12,17,25-26,28-29H,1-2,13-16H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to recombinant human ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 15: 5124-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.084 BindingDB Entry DOI: 10.7270/Q2BZ65MS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149505 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H27NO4S/c28-20-7-3-19(4-8-20)26-25(31-23-12-9-21(29)17-24(23)32-26)18-5-10-22(11-6-18)30-16-15-27-13-1-2-14-27/h3-12,17,25-26,28-29H,1-2,13-16H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of bindign to recombinant human estrogen receptor alpha				Bioorg Med Chem Lett 15: 107-13 (2004) Article DOI: 10.1016/j.bmcl.2004.10.036 BindingDB Entry DOI: 10.7270/Q2GM86S0
					More data for this Ligand-Target Pair