Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50215048'   

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))	BDBM50215048 (CHEMBL236496 | methyl 2-(benzyloxycarbonyl)-3-(2-m...) Show SMILES COC(=O)C(CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C)NC(=O)OCc1ccccc1 |TLB:5:6:13.14:11.10,THB:15:14:6.8:11.10,7:6:13.14:11.10| Show InChI InChI=1S/C32H50N2O5/c1-22(2)12-15-28(35)33-17-16-31(3,4)26-18-25-14-13-24(26)19-32(25,5)20-27(29(36)38-6)34-30(37)39-21-23-10-8-7-9-11-23/h7-11,22,24-27H,12-21H2,1-6H3,(H,33,35)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80E+4	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 iodoacetamide-fluorescein-labeled SRC3 from ERalpha by TR-FRET assay				Bioorg Med Chem Lett 17: 4118-22 (2007) Article DOI: 10.1016/j.bmcl.2007.05.058 BindingDB Entry DOI: 10.7270/Q2H70FHS
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