Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50215045'   

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))	BDBM50215045 (CHEMBL392906 | dimethyl 2-((2-methyl-5-(2-methyl-4...) Show SMILES COC(=O)C(CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC |w:9.9,6.6,14.16,12.13,TLB:5:6:13.14:11.10,TEB:15:14:6.8:11.10,7:6:13.14:11.10| Show InChI InChI=1S/C26H45NO5/c1-17(2)8-11-22(28)27-13-12-25(3,4)21-14-19-10-9-18(21)15-26(19,5)16-20(23(29)31-6)24(30)32-7/h17-21H,8-16H2,1-7H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	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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