null

SMILES: Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@@H]3c1ccc(OCCN2CCCCCC2)cc1

InChI Key: InChIKey=KLRGEDJTDSUZSF-WJOKGBTCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50310404   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor beta (Homo sapiens (Human))	BDBM50310404 ((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-8-fluoro-1...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C31H32FNO4/c32-22-7-11-25-26-13-17-36-28-20-23(34)8-12-27(28)30(26)31(37-29(25)19-22)21-5-9-24(10-6-21)35-18-16-33-14-3-1-2-4-15-33/h5-12,19-20,31,34H,1-4,13-18H2/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development LLC Curated by ChEMBL					Assay Description Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay				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))	BDBM50310404 ((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-8-fluoro-1...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C31H32FNO4/c32-22-7-11-25-26-13-17-36-28-20-23(34)8-12-27(28)30(26)31(37-29(25)19-22)21-5-9-24(10-6-21)35-18-16-33-14-3-1-2-4-15-33/h5-12,19-20,31,34H,1-4,13-18H2/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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
Estrogen receptor (Homo sapiens (Human))	BDBM50310404 ((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-8-fluoro-1...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C31H32FNO4/c32-22-7-11-25-26-13-17-36-28-20-23(34)8-12-27(28)30(26)31(37-29(25)19-22)21-5-9-24(10-6-21)35-18-16-33-14-3-1-2-4-15-33/h5-12,19-20,31,34H,1-4,13-18H2/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	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))	BDBM50310404 ((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-8-fluoro-1...) Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5| Show InChI InChI=1S/C31H32FNO4/c32-22-7-11-25-26-13-17-36-28-20-23(34)8-12-27(28)30(26)31(37-29(25)19-22)21-5-9-24(10-6-21)35-18-16-33-14-3-1-2-4-15-33/h5-12,19-20,31,34H,1-4,13-18H2/t31-/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