Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50310392'   

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))	BDBM50310392 (5S-(+)-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-di...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	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))	BDBM50310392 (5S-(+)-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-di...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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))	BDBM50310392 (5S-(+)-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-di...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+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