Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50310389'   

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))	BDBM50310389 (5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihyd...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C31H33NO4/c33-23-11-14-27-29(21-23)35-19-15-26-25-7-3-4-8-28(25)36-31(30(26)27)22-9-12-24(13-10-22)34-20-18-32-16-5-1-2-6-17-32/h3-4,7-14,21,31,33H,1-2,5-6,15-20H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	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))	BDBM50310389 (5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihyd...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C31H33NO4/c33-23-11-14-27-29(21-23)35-19-15-26-25-7-3-4-8-28(25)36-31(30(26)27)22-9-12-24(13-10-22)34-20-18-32-16-5-1-2-6-17-32/h3-4,7-14,21,31,33H,1-2,5-6,15-20H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	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))	BDBM50310389 (5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihyd...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C31H33NO4/c33-23-11-14-27-29(21-23)35-19-15-26-25-7-3-4-8-28(25)36-31(30(26)27)22-9-12-24(13-10-22)34-20-18-32-16-5-1-2-6-17-32/h3-4,7-14,21,31,33H,1-2,5-6,15-20H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+3	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