Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50310405'   

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))	BDBM50310405 ((R)-5-{4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-phen...) Show SMILES CN1CCN(CCOc2ccc(cc2)[C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1 |r,c:25| Show InChI InChI=1S/C30H32N2O5/c1-31-11-13-32(14-12-31)15-17-35-23-6-2-20(3-7-23)30-29-25(24-8-4-22(34)19-28(24)37-30)10-16-36-27-18-21(33)5-9-26(27)29/h2-9,18-19,30,33-34H,10-17H2,1H3/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	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))	BDBM50310405 ((R)-5-{4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-phen...) Show SMILES CN1CCN(CCOc2ccc(cc2)[C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1 |r,c:25| Show InChI InChI=1S/C30H32N2O5/c1-31-11-13-32(14-12-31)15-17-35-23-6-2-20(3-7-23)30-29-25(24-8-4-22(34)19-28(24)37-30)10-16-36-27-18-21(33)5-9-26(27)29/h2-9,18-19,30,33-34H,10-17H2,1H3/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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))	BDBM50310405 ((R)-5-{4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-phen...) Show SMILES CN1CCN(CCOc2ccc(cc2)[C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1 |r,c:25| Show InChI InChI=1S/C30H32N2O5/c1-31-11-13-32(14-12-31)15-17-35-23-6-2-20(3-7-23)30-29-25(24-8-4-22(34)19-28(24)37-30)10-16-36-27-18-21(33)5-9-26(27)29/h2-9,18-19,30,33-34H,10-17H2,1H3/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+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