BDBM176764 2,5-Di-tert-butylhydroquinone::CAS# 88-58-4::US9688816, 7

SMILES: CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C

InChI Key: InChIKey=JZODKRWQWUWGCD-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 176764   

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))	BDBM176764 (2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...) Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	>2.50E+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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM176764 (2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...) Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	>2.50E+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
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (Homo sapiens)	BDBM176764 (2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...) Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m...				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 (Homo sapiens)	BDBM176764 (2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...) Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 m...				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase (Oryctolagus cuniculus)	BDBM176764 (2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...) Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	DrugBank PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 ...				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509
					More data for this Ligand-Target Pair				3D Structure (crystal)