BDBM50310402 (S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-8-ol::CHEMBL1086652

SMILES: Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3

InChI Key: InChIKey=IRZRURKICLRQNH-PMERELPUSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50310402   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50310402 ((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	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))	BDBM50310402 ((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	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))	BDBM50310402 ((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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))	BDBM50310402 ((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...) Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3 |r,c:5| Show InChI InChI=1S/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.9	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