Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50204809'   

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))	BDBM50204809 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-7-20-36-18-5-6-19-36)22-31(29)35-33(30)26-8-3-2-4-9-26/h2-4,8-9,12-17,22,24,35,37H,5-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
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