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Compile Data Set for Download or QSAR

Found 8 hits of ec50 data for polymerid = 50001341,50007165   
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
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(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
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n/an/an/an/a 4.60n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ZFP-fused ERRbeta LBD expressed in HEK293 cells 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 ERR2


(Homo sapiens (Human))
BDBM50455427
PNG
(CHEMBL4206963)
Show SMILES Cc1cc(O)ccc1C(=O)NCCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H25NO2/c1-14-13-17(22)9-10-18(14)19(23)21-12-11-15-5-7-16(8-6-15)20(2,3)4/h5-10,13,22H,11-12H2,1-4H3,(H,21,23)
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n/an/an/an/a 20n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM50455420
PNG
(CHEMBL4217033)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2Cl)cc1
Show InChI InChI=1S/C19H22ClNO2/c1-19(2,3)14-6-4-13(5-7-14)10-11-21-18(23)16-9-8-15(22)12-17(16)20/h4-9,12,22H,10-11H2,1-3H3,(H,21,23)
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n/an/an/an/a 31n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM50455417
PNG
(CHEMBL4211016)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2N)cc1
Show InChI InChI=1S/C19H24N2O2/c1-19(2,3)14-6-4-13(5-7-14)10-11-21-18(23)16-9-8-15(22)12-17(16)20/h4-9,12,22H,10-11,20H2,1-3H3,(H,21,23)
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n/an/an/an/a 45n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM50455402
PNG
(CHEMBL4204689)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-8-4-14(5-9-16)12-13-20-18(22)15-6-10-17(21)11-7-15/h4-11,21H,12-13H2,1-3H3,(H,20,22)
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n/an/an/an/a 90n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM50455428
PNG
(CHEMBL4205664)
Show SMILES CCN(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2O2/c1-3-21(4-2)17-9-5-15(6-10-17)13-14-20-19(23)16-7-11-18(22)12-8-16/h5-12,22H,3-4,13-14H2,1-2H3,(H,20,23)
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PC cid
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n/an/an/an/a 630n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(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 1.60E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ZFP-fused ERRbeta LBD expressed in HEK293 cells 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 ERR2


(Homo sapiens (Human))
BDBM50455406
PNG
(CHEMBL4211789)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H25NO2/c1-20(2,3)17-8-4-15(5-9-17)12-13-21-19(23)14-16-6-10-18(22)11-7-16/h4-11,22H,12-14H2,1-3H3,(H,21,23)
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n/an/an/an/a 2.70E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay


Bioorg Med Chem Lett 28: 1313-1319 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RF5XKM
More data for this
Ligand-Target Pair