Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50161709'   

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))	BDBM50161709 (CHEMBL182237 | {4-[4-(4,6-Dimethyl-pyrimidin-2-yl)...) Show SMILES Cc1cc(C)nc(n1)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C31H28N4O3S/c1-19-17-20(2)33-31(32-19)35-15-13-34(14-16-35)23-7-3-21(4-8-23)29(38)28-26-12-11-25(37)18-27(26)39-30(28)22-5-9-24(36)10-6-22/h3-12,17-18,36-37H,13-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1505-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.074 BindingDB Entry DOI: 10.7270/Q2D21X4C
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