Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50146262'   

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))	BDBM50146262 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-{4-[2-(4-methyl-pip...) Show SMILES CC1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)CC1 Show InChI InChI=1S/C28H31NO4S/c1-19-11-13-29(14-12-19)15-16-32-24-8-5-20(6-9-24)27-28(21-3-2-4-22(30)17-21)34-26-18-23(31)7-10-25(26)33-27/h2-10,17-19,27-28,30-31H,11-16H2,1H3/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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))	BDBM50146262 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-{4-[2-(4-methyl-pip...) Show SMILES CC1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)CC1 Show InChI InChI=1S/C28H31NO4S/c1-19-11-13-29(14-12-19)15-16-32-24-8-5-20(6-9-24)27-28(21-3-2-4-22(30)17-21)34-26-18-23(31)7-10-25(26)33-27/h2-10,17-19,27-28,30-31H,11-16H2,1H3/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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