null

SMILES: Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1OCC3

InChI Key: InChIKey=YVAJBGGOMIUCAI-HKBQPEDESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50310425   

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 (Homo sapiens (Human))	BDBM50310425 (5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihyd...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C31H33NO4/c33-23-11-14-25-26-15-19-35-28-8-4-3-7-27(28)30(26)31(36-29(25)21-23)22-9-12-24(13-10-22)34-20-18-32-16-5-1-2-6-17-32/h3-4,7-14,21,31,33H,1-2,5-6,15-20H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+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))	BDBM50310425 (5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihyd...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C31H33NO4/c33-23-11-14-25-26-15-19-35-28-8-4-3-7-27(28)30(26)31(36-29(25)21-23)22-9-12-24(13-10-22)34-20-18-32-16-5-1-2-6-17-32/h3-4,7-14,21,31,33H,1-2,5-6,15-20H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	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))	BDBM50310425 (5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihyd...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C31H33NO4/c33-23-11-14-25-26-15-19-35-28-8-4-3-7-27(28)30(26)31(36-29(25)21-23)22-9-12-24(13-10-22)34-20-18-32-16-5-1-2-6-17-32/h3-4,7-14,21,31,33H,1-2,5-6,15-20H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 beta (Homo sapiens (Human))	BDBM50310425 (5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihyd...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C31H33NO4/c33-23-11-14-25-26-15-19-35-28-8-4-3-7-27(28)30(26)31(36-29(25)21-23)22-9-12-24(13-10-22)34-20-18-32-16-5-1-2-6-17-32/h3-4,7-14,21,31,33H,1-2,5-6,15-20H2/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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