Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM20622'   

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))	BDBM20622 (1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(3-hyd...) Show SMILES Oc1ccc2C(N(CCc2c1)c1cccc(O)c1)c1ccc(cc1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C30H35N3O2/c34-27-7-3-6-26(21-27)33-15-14-23-20-28(35)12-13-29(23)30(33)22-8-10-25(11-9-22)32-18-16-31(17-19-32)24-4-1-2-5-24/h3,6-13,20-21,24,30,34-35H,1-2,4-5,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	19.6	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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