Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50186727'   

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))	BDBM50186727 (CHEMBL3823498) Show SMILES CNCCCCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C28H40N2O2/c1-22-26-21-25(32)17-18-27(26)30(28(22)23-13-15-24(31)16-14-23)20-12-10-8-6-4-3-5-7-9-11-19-29-2/h13-18,21,29,31-32H,3-12,19-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay				Bioorg Med Chem 24: 4075-4099 (2016) Article DOI: 10.1016/j.bmc.2016.06.050 BindingDB Entry DOI: 10.7270/Q2T43W1S
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