Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50204799'   

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))	BDBM50204799 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCCCN3CCCCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C36H45N3O3/c1-27(13-14-28-15-17-30(40)18-16-28)37-35(41)26-33-32-25-31(42-24-10-4-9-23-39-21-7-3-8-22-39)19-20-34(32)38-36(33)29-11-5-2-6-12-29/h2,5-6,11-12,15-20,25,27,38,40H,3-4,7-10,13-14,21-24,26H2,1H3,(H,37,41)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	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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