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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 176764   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1


(Oryctolagus cuniculus)
BDBM176764
PNG
(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
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MCE
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 3


(Homo sapiens)
BDBM176764
PNG
(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
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n/an/a 2.00E+3n/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2


(Homo sapiens)
BDBM176764
PNG
(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
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n/an/a 2.00E+3n/an/an/an/an/an/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
BindingDB Entry DOI: 10.7270/Q29G5R8T
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM176764
PNG
(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
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US Patent
n/an/a>2.50E+5n/an/an/an/an/an/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))
BDBM176764
PNG
(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

antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a>2.50E+5n/an/an/an/an/an/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