Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50194091'   

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))	BDBM50194091 (4-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCOCC2)cc1 |t:5| Show InChI InChI=1S/C32H33NO4/c34-26-8-11-28-25(20-26)22-32(21-23-4-2-1-3-5-23)13-12-29(35)30(31(28)32)24-6-9-27(10-7-24)37-19-16-33-14-17-36-18-15-33/h1-11,20,34H,12-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194091 (4-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCOCC2)cc1 |t:5| Show InChI InChI=1S/C32H33NO4/c34-26-8-11-28-25(20-26)22-32(21-23-4-2-1-3-5-23)13-12-29(35)30(31(28)32)24-6-9-27(10-7-24)37-19-16-33-14-17-36-18-15-33/h1-11,20,34H,12-19,21-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair