BDBM50310380 (R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalene-2,8-diol::CHEMBL1086775

SMILES: Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3

InChI Key: InChIKey=OKLGGBGAMNAZTC-GDLZYMKVSA-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 = 50310380   

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))	BDBM50310380 ((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50310380 ((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/m1/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))	BDBM50310380 ((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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))	BDBM50310380 ((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...) Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5| Show InChI InChI=1S/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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