BDBM50310395 5S-(-)-[4-(2-diethylaminoethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxabenzo-[3,4]cyclohepta[1,2-a]naphthalen-2-ol::CHEMBL1084129

SMILES: CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2

InChI Key: InChIKey=KOJRQQVBJKHPBA-LJAQVGFWSA-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 = 50310395   

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))	BDBM50310395 (5S-(-)-[4-(2-diethylaminoethoxy)phenyl]-11,12-dihy...) Show SMILES CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:24| Show InChI InChI=1S/C29H31NO4/c1-3-30(4-2)16-18-32-22-12-9-20(10-13-22)29-28-24(23-7-5-6-8-26(23)34-29)15-17-33-27-19-21(31)11-14-25(27)28/h5-14,19,29,31H,3-4,15-18H2,1-2H3/t29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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))	BDBM50310395 (5S-(-)-[4-(2-diethylaminoethoxy)phenyl]-11,12-dihy...) Show SMILES CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:24| Show InChI InChI=1S/C29H31NO4/c1-3-30(4-2)16-18-32-22-12-9-20(10-13-22)29-28-24(23-7-5-6-8-26(23)34-29)15-17-33-27-19-21(31)11-14-25(27)28/h5-14,19,29,31H,3-4,15-18H2,1-2H3/t29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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))	BDBM50310395 (5S-(-)-[4-(2-diethylaminoethoxy)phenyl]-11,12-dihy...) Show SMILES CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:24| Show InChI InChI=1S/C29H31NO4/c1-3-30(4-2)16-18-32-22-12-9-20(10-13-22)29-28-24(23-7-5-6-8-26(23)34-29)15-17-33-27-19-21(31)11-14-25(27)28/h5-14,19,29,31H,3-4,15-18H2,1-2H3/t29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+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))	BDBM50310395 (5S-(-)-[4-(2-diethylaminoethoxy)phenyl]-11,12-dihy...) Show SMILES CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:24| Show InChI InChI=1S/C29H31NO4/c1-3-30(4-2)16-18-32-22-12-9-20(10-13-22)29-28-24(23-7-5-6-8-26(23)34-29)15-17-33-27-19-21(31)11-14-25(27)28/h5-14,19,29,31H,3-4,15-18H2,1-2H3/t29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	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