Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50104323'   

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))	BDBM50104323 (4-{5-(4-hydroxy-phenyl)-4-propyl-3-[4-(2-piperidin...) Show SMILES CCCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
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