null

SMILES: [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key: InChIKey=TTWLNSHTBPTSHV-DZIGDOIQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50494961   

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 (Homo sapiens (Human))	BDBM50494961 (CHEMBL3099428 | US10570077, Compound 11) Show SMILES [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O2/c1-14(10-12-23)20-7-8-21-19-5-3-15-13-16(24)4-6-17(15)18(19)9-11-22(20,21)2/h4,6-7,13-14,18-19,21,23-24H,3,5,8-12H2,1-2H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494961 (CHEMBL3099428 | US10570077, Compound 11) Show SMILES [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O2/c1-14(10-12-23)20-7-8-21-19-5-3-15-13-16(24)4-6-17(15)18(19)9-11-22(20,21)2/h4,6-7,13-14,18-19,21,23-24H,3,5,8-12H2,1-2H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50494961 (CHEMBL3099428 | US10570077, Compound 11) Show SMILES [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O2/c1-14(10-12-23)20-7-8-21-19-5-3-15-13-16(24)4-6-17(15)18(19)9-11-22(20,21)2/h4,6-7,13-14,18-19,21,23-24H,3,5,8-12H2,1-2H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Antagonist activity at ERbeta (unknown origin) assessed as inhibition of E2-induced receptor activation after 22 hrs by cell-based luciferase reporte...				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50494961 (CHEMBL3099428 | US10570077, Compound 11) Show SMILES [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O2/c1-14(10-12-23)20-7-8-21-19-5-3-15-13-16(24)4-6-17(15)18(19)9-11-22(20,21)2/h4,6-7,13-14,18-19,21,23-24H,3,5,8-12H2,1-2H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at ERbeta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair