Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50204798'   

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))	BDBM50204798 ((R)-2-(1-(4-(3-(piperidin-1-yl)propoxy)benzyl)-2-p...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccccc12 Show InChI InChI=1S/C41H47N3O3/c1-31(15-16-32-17-21-35(45)22-18-32)42-40(46)29-38-37-13-6-7-14-39(37)44(41(38)34-11-4-2-5-12-34)30-33-19-23-36(24-20-33)47-28-10-27-43-25-8-3-9-26-43/h2,4-7,11-14,17-24,31,45H,3,8-10,15-16,25-30H2,1H3,(H,42,46)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	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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