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Compile Data Set for Download or QSAR

Found 14 hits of ec50 data for polymerid = 2277,50000411   
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
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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Article
PubMed
n/an/an/an/a 5.90n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50336730
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9|
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)
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n/an/an/an/a 900n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50336763
PNG
(4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(C)c(c1)-c1cc(nn1C)-c1ccc(O)cc1
Show InChI InChI=1S/C18H18N2O/c1-12-4-5-13(2)16(10-12)18-11-17(19-20(18)3)14-6-8-15(21)9-7-14/h4-11,21H,1-3H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557790
PNG
(CHEMBL4789350)
Show SMILES Cc1nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc2n1C
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557786
PNG
(CHEMBL4776913)
Show SMILES Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12
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n/an/an/an/a 5.20E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557798
PNG
(CHEMBL4760865)
Show SMILES CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1
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n/an/an/an/a 5.40E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557797
PNG
(CHEMBL4798460)
Show SMILES CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
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n/an/an/an/a 5.90E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557794
PNG
(CHEMBL4742675)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557795
PNG
(CHEMBL4756874)
Show SMILES CC(=O)Nc1ccc(Oc2cccc3ccccc23)c(Cl)c1
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557796
PNG
(CHEMBL4783029)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557792
PNG
(CHEMBL4794502)
Show SMILES CCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557789
PNG
(CHEMBL4790878)
Show SMILES Cn1c(nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12)-c1ccccc1
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557787
PNG
(CHEMBL4789973)
Show SMILES Cn1c(COc2ccccc2)nc2ccc(Oc3ccc(O)c(c3)C(C)(C)C)cc12
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR1


(Homo sapiens (Human))
BDBM50557793
PNG
(CHEMBL4744735)
Show SMILES CCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
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n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dua...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00100
BindingDB Entry DOI: 10.7270/Q25H7KZK
More data for this
Ligand-Target Pair