Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50146272'   

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))	BDBM50146272 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H27NO4S/c28-20-5-3-4-19(16-20)26-25(31-23-11-8-21(29)17-24(23)32-26)18-6-9-22(10-7-18)30-15-14-27-12-1-2-13-27/h3-11,16-17,25-26,28-29H,1-2,12-15H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from full length human estrogen receptor alpha				Bioorg Med Chem Lett 14: 2741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.074 BindingDB Entry DOI: 10.7270/Q28P5ZZ1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146272 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H27NO4S/c28-20-5-3-4-19(16-20)26-25(31-23-11-8-21(29)17-24(23)32-26)18-6-9-22(10-7-18)30-15-14-27-12-1-2-13-27/h3-11,16-17,25-26,28-29H,1-2,12-15H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3753-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.101 BindingDB Entry DOI: 10.7270/Q29886GZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146272 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C26H27NO4S/c28-20-5-3-4-19(16-20)26-25(31-23-11-8-21(29)17-24(23)32-26)18-6-9-22(10-7-18)30-15-14-27-12-1-2-13-27/h3-11,16-17,25-26,28-29H,1-2,12-15H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Potency in cellular transactivation assay utilizing HEK-293 cells stably co-transfected with human estrogen receptor alpha and the alkaline phosphata...				Bioorg Med Chem Lett 14: 2741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.074 BindingDB Entry DOI: 10.7270/Q28P5ZZ1
					More data for this Ligand-Target Pair