Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM20621'   

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))	BDBM20621 (1-{4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl}-...) Show SMILES Oc1cccc(c1)N1CCc2cc(O)ccc2C1c1ccc(cc1)N1CCN(CC2CC2)CC1 Show InChI InChI=1S/C29H33N3O2/c33-26-3-1-2-25(19-26)32-13-12-23-18-27(34)10-11-28(23)29(32)22-6-8-24(9-7-22)31-16-14-30(15-17-31)20-21-4-5-21/h1-3,6-11,18-19,21,29,33-34H,4-5,12-17,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	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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