BDBM50001002 3,3-Bis(4-Hydroxyphenyl)Pentane::CHEBI:79719::CHEMBL1782331

SMILES: CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1

InChI Key: InChIKey=RKSBPFMNOJWYSB-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50001002   

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))	BDBM50001002 (3,3-Bis(4-Hydroxyphenyl)Pentane | CHEBI:79719 | CH...) Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...				Bioorg Med Chem 22: 2244-52 (2014) Article DOI: 10.1016/j.bmc.2014.02.025 BindingDB Entry DOI: 10.7270/Q2H996QP
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50001002 (3,3-Bis(4-Hydroxyphenyl)Pentane | CHEBI:79719 | CH...) Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	181	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50001002 (3,3-Bis(4-Hydroxyphenyl)Pentane | CHEBI:79719 | CH...) Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50001002 (3,3-Bis(4-Hydroxyphenyl)Pentane | CHEBI:79719 | CH...) Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
					More data for this Ligand-Target Pair