Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50125086'   

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))	BDBM50125086 (CHEMBL3622992) Show SMILES OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN2O/c20-14-7-5-13(6-8-14)19-18-16(9-10-22(19)11-12-23)15-3-1-2-4-17(15)21-18/h1-8,19,21,23H,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125086 (CHEMBL3622992) Show SMILES OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN2O/c20-14-7-5-13(6-8-14)19-18-16(9-10-22(19)11-12-23)15-3-1-2-4-17(15)21-18/h1-8,19,21,23H,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair