Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50204812'   

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))	BDBM50204812 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCCN3CCCCC3)cccc12)-c1ccccc1 Show InChI InChI=1S/C36H45N3O3/c1-27(16-17-28-18-20-30(40)21-19-28)37-34(41)26-32-31-14-11-15-33(36(31)38-35(32)29-12-5-2-6-13-29)42-25-10-4-9-24-39-22-7-3-8-23-39/h2,5-6,11-15,18-21,27,38,40H,3-4,7-10,16-17,22-26H2,1H3,(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	13	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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