Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50310394'   

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))	BDBM50310394 ((R)-5-[4-(2-Thiomorpholin-4-yl-ethoxy)-phenyl]-11,...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCSCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C29H29NO5S/c31-20-4-8-25-26(17-20)34-13-9-24-23-7-3-21(32)18-27(23)35-29(28(24)25)19-1-5-22(6-2-19)33-14-10-30-11-15-36-16-12-30/h1-8,17-18,29,31-32H,9-16H2/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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))	BDBM50310394 ((R)-5-[4-(2-Thiomorpholin-4-yl-ethoxy)-phenyl]-11,...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCSCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C29H29NO5S/c31-20-4-8-25-26(17-20)34-13-9-24-23-7-3-21(32)18-27(23)35-29(28(24)25)19-1-5-22(6-2-19)33-14-10-30-11-15-36-16-12-30/h1-8,17-18,29,31-32H,9-16H2/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	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))	BDBM50310394 ((R)-5-[4-(2-Thiomorpholin-4-yl-ethoxy)-phenyl]-11,...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCSCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C29H29NO5S/c31-20-4-8-25-26(17-20)34-13-9-24-23-7-3-21(32)18-27(23)35-29(28(24)25)19-1-5-22(6-2-19)33-14-10-30-11-15-36-16-12-30/h1-8,17-18,29,31-32H,9-16H2/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+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