Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50149068'   

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))	BDBM50149068 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(4-methyl-[1,4]d...) Show SMILES CN1CCCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C26H28N2O3S/c1-27-13-2-14-28(16-15-27)20-7-3-18(4-8-20)25-26(19-5-9-21(29)10-6-19)32-24-17-22(30)11-12-23(24)31-25/h3-12,17,25-26,29-30H,2,13-16H2,1H3/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	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: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
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