Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50310390'   

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))	BDBM50310390 ((R)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-di...) Show SMILES CN(C)CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:23| Show InChI InChI=1S/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	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))	BDBM50310390 ((R)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-di...) Show SMILES CN(C)CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:23| Show InChI InChI=1S/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	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))	BDBM50310390 ((R)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-di...) Show SMILES CN(C)CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:23| Show InChI InChI=1S/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	293	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