Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50194076'   

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))	BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) Show SMILES CN(C)CCOc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:13| Show InChI InChI=1S/C30H31NO3/c1-31(2)16-17-34-25-11-8-22(9-12-25)28-27(33)14-15-30(19-21-6-4-3-5-7-21)20-23-18-24(32)10-13-26(23)29(28)30/h3-13,18,32H,14-17,19-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50194076 (2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydr...) Show SMILES CN(C)CCOc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:13| Show InChI InChI=1S/C30H31NO3/c1-31(2)16-17-34-25-11-8-22(9-12-25)28-27(33)14-15-30(19-21-6-4-3-5-7-21)20-23-18-24(32)10-13-26(23)29(28)30/h3-13,18,32H,14-17,19-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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