BDBM50310378 1-{3-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)-phenoxy]-propyl}-pyrrolidine-2,5-dione::CHEMBL1087557

SMILES: Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3

InChI Key: InChIKey=BAQUULQYEAYXFF-SSEXGKCCSA-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 = 50310378   

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))	BDBM50310378 (1-{3-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C30H27NO7/c32-19-5-9-24-25(16-19)37-15-12-23-22-8-4-20(33)17-26(22)38-30(29(23)24)18-2-6-21(7-3-18)36-14-1-13-31-27(34)10-11-28(31)35/h2-9,16-17,30,32-33H,1,10-15H2/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.7	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))	BDBM50310378 (1-{3-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C30H27NO7/c32-19-5-9-24-25(16-19)37-15-12-23-22-8-4-20(33)17-26(22)38-30(29(23)24)18-2-6-21(7-3-18)36-14-1-13-31-27(34)10-11-28(31)35/h2-9,16-17,30,32-33H,1,10-15H2/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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))	BDBM50310378 (1-{3-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C30H27NO7/c32-19-5-9-24-25(16-19)37-15-12-23-22-8-4-20(33)17-26(22)38-30(29(23)24)18-2-6-21(7-3-18)36-14-1-13-31-27(34)10-11-28(31)35/h2-9,16-17,30,32-33H,1,10-15H2/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50310378 (1-{3-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C30H27NO7/c32-19-5-9-24-25(16-19)37-15-12-23-22-8-4-20(33)17-26(22)38-30(29(23)24)18-2-6-21(7-3-18)36-14-1-13-31-27(34)10-11-28(31)35/h2-9,16-17,30,32-33H,1,10-15H2/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63	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