BDBM29609 4-alpha-Cumylphenol::4-cumylphenol::US9688816, B

SMILES: CC(C)(c1ccccc1)c1ccc(O)cc1

InChI Key: InChIKey=QBDSZLJBMIMQRS-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer. 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 7 hits for monomerid = 29609   

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-Related Receptor, gamma (Homo sapiens (Human))	BDBM29609 (4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B) Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	13.9	n/a	n/a	n/a	n/a	7.4	25
Kyushu University					Assay Description The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...				Biochem Biophys Res Commun 373: 408-13 (2008) Article DOI: 10.1016/j.bbrc.2008.06.050 BindingDB Entry DOI: 10.7270/Q22R3Q0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM29609 (4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B) Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29609 (4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B) Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
SABIC GLOBAL TECHNOLOGIES B.V. US Patent					Assay Description Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...				US Patent US9688816 (2017) BindingDB Entry DOI: 10.7270/Q2WD3XR0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29609 (4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B) Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30E+4	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 ERbeta expressed in HEK293 cells assessed as inhibition of E2-induced transcriptional activation after 24 hrs...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29609 (4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B) Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at human Gal4-fused ERalpha expressed in HEK293 cells assessed as transcriptional activation after 24 hrs by luciferase/beta-galacto...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM29609 (4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B) Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.40E+4	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 ERalpha expressed in HEK293 cells assessed as inhibition of E2-induced transcriptional activation after 24 hr...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM29609 (4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B) Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SABIC GLOBAL TECHNOLOGIES B.V. US Patent					Assay Description Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...				US Patent US9688816 (2017) BindingDB Entry DOI: 10.7270/Q2WD3XR0
					More data for this Ligand-Target Pair