Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50194084'   

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))	BDBM50194084 (9a-benzyl-7-hydroxy-4-(4-hydroxyphenyl)-1,2,9,9a-t...) Show SMILES Oc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:8| Show InChI InChI=1S/C26H22O3/c27-20-8-6-18(7-9-20)24-23(29)12-13-26(15-17-4-2-1-3-5-17)16-19-14-21(28)10-11-22(19)25(24)26/h1-11,14,27-28H,12-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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))	BDBM50194084 (9a-benzyl-7-hydroxy-4-(4-hydroxyphenyl)-1,2,9,9a-t...) Show SMILES Oc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:8| Show InChI InChI=1S/C26H22O3/c27-20-8-6-18(7-9-20)24-23(29)12-13-26(15-17-4-2-1-3-5-17)16-19-14-21(28)10-11-22(19)25(24)26/h1-11,14,27-28H,12-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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
Estrogen receptor (Homo sapiens (Human))	BDBM50194084 (9a-benzyl-7-hydroxy-4-(4-hydroxyphenyl)-1,2,9,9a-t...) Show SMILES Oc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:8| Show InChI InChI=1S/C26H22O3/c27-20-8-6-18(7-9-20)24-23(29)12-13-26(15-17-4-2-1-3-5-17)16-19-14-21(28)10-11-22(19)25(24)26/h1-11,14,27-28H,12-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Activity at ERalpha L384M/M421G/G521R mutant in HeLa cells assessed as activation of SEAP reporter gene				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