Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50149067'   

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))	BDBM50149067 ((2S,3R)-2-(4-[1,4]Diazepan-1-yl-phenyl)-3-(4-hydro...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)N1CCCNCC1 Show InChI InChI=1S/C25H26N2O3S/c28-20-8-4-18(5-9-20)25-24(30-22-11-10-21(29)16-23(22)31-25)17-2-6-19(7-3-17)27-14-1-12-26-13-15-27/h2-11,16,24-26,28-29H,1,12-15H2/t24-,25+/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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