Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50310387'   

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))	BDBM50310387 (5R-(+)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-...) Show SMILES CC(C)N(CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C |r,c:24| Show InChI InChI=1S/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	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))	BDBM50310387 (5R-(+)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-...) Show SMILES CC(C)N(CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C |r,c:24| Show InChI InChI=1S/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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
Estrogen receptor (Homo sapiens (Human))	BDBM50310387 (5R-(+)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-...) Show SMILES CC(C)N(CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C |r,c:24| Show InChI InChI=1S/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	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