Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM20618'   

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))	BDBM20618 (2-(3-hydroxyphenyl)-1-[4-(4-methylpiperazin-1-yl)p...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1 Show InChI InChI=1S/C26H29N3O2/c1-27-13-15-28(16-14-27)21-7-5-19(6-8-21)26-25-10-9-24(31)17-20(25)11-12-29(26)22-3-2-4-23(30)18-22/h2-10,17-18,26,30-31H,11-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	169	n/a	18.2	n/a	n/a	7.4	22
Novartis Pharmaceuticals					Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...				J Med Chem 48: 364-79 (2005) Article DOI: 10.1021/jm040858p BindingDB Entry DOI: 10.7270/Q2CC0XZJ
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