Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50194078'   

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))	BDBM50194078 (9a-benzyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4[nH]ncc34)C2=C1 |c:26| Show InChI InChI=1S/C21H18N2O/c24-15-8-9-21(11-14-4-2-1-3-5-14)12-17-16(19(21)10-15)6-7-20-18(17)13-22-23-20/h1-7,10,13H,8-9,11-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+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 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))	BDBM50194078 (9a-benzyl-8,9,9a,10-tetrahydroindeno[2,1-e]indazol...) Show SMILES O=C1CCC2(Cc3ccccc3)Cc3c(ccc4[nH]ncc34)C2=C1 |c:26| Show InChI InChI=1S/C21H18N2O/c24-15-8-9-21(11-14-4-2-1-3-5-14)12-17-16(19(21)10-15)6-7-20-18(17)13-22-23-20/h1-7,10,13H,8-9,11-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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