Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50310379'   

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))	BDBM50310379 ((S)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development LLC Curated by ChEMBL					Assay Description Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting				J Med Chem 52: 7544-69 (2009) Article DOI: 10.1021/jm900146e BindingDB Entry DOI: 10.7270/Q27D2V8M
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50310379 ((S)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development LLC Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...				J Med Chem 52: 7544-69 (2009) Article DOI: 10.1021/jm900146e BindingDB Entry DOI: 10.7270/Q27D2V8M
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50310379 ((S)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	401	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development LLC Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...				J Med Chem 52: 7544-69 (2009) Article DOI: 10.1021/jm900146e BindingDB Entry DOI: 10.7270/Q27D2V8M
					More data for this Ligand-Target Pair