BDBM50310382 CHEMBL1085161::[4-(2,8-Dihydroxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]acetic AcidMethyl Ester

SMILES: COC(=O)COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2

InChI Key: InChIKey=JTNRUVDDTQIJPD-UHFFFAOYSA-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 = 50310382   

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))	BDBM50310382 (CHEMBL1085161 | [4-(2,8-Dihydroxy-11,12-dihydro-5H...) Show SMILES COC(=O)COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |c:23| Show InChI InChI=1S/C26H22O7/c1-30-24(29)14-32-18-6-2-15(3-7-18)26-25-20(19-8-4-17(28)13-23(19)33-26)10-11-31-22-12-16(27)5-9-21(22)25/h2-9,12-13,26-28H,10-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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))	BDBM50310382 (CHEMBL1085161 | [4-(2,8-Dihydroxy-11,12-dihydro-5H...) Show SMILES COC(=O)COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |c:23| Show InChI InChI=1S/C26H22O7/c1-30-24(29)14-32-18-6-2-15(3-7-18)26-25-20(19-8-4-17(28)13-23(19)33-26)10-11-31-22-12-16(27)5-9-21(22)25/h2-9,12-13,26-28H,10-11,14H2,1H3	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 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))	BDBM50310382 (CHEMBL1085161 | [4-(2,8-Dihydroxy-11,12-dihydro-5H...) Show SMILES COC(=O)COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |c:23| Show InChI InChI=1S/C26H22O7/c1-30-24(29)14-32-18-6-2-15(3-7-18)26-25-20(19-8-4-17(28)13-23(19)33-26)10-11-31-22-12-16(27)5-9-21(22)25/h2-9,12-13,26-28H,10-11,14H2,1H3	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))	BDBM50310382 (CHEMBL1085161 | [4-(2,8-Dihydroxy-11,12-dihydro-5H...) Show SMILES COC(=O)COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |c:23| Show InChI InChI=1S/C26H22O7/c1-30-24(29)14-32-18-6-2-15(3-7-18)26-25-20(19-8-4-17(28)13-23(19)33-26)10-11-31-22-12-16(27)5-9-21(22)25/h2-9,12-13,26-28H,10-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	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