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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2598   
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
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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Article
PubMed
n/an/an/an/a 15n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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Article
PubMed
n/an/an/an/a 630n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22438
PNG
(4-Hydroxy-benzoic acid (4-isopropyl-benzylidene)-h...)
Show SMILES CC(C)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
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PubMed
n/an/an/an/a 1.30E+3n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22439
PNG
(GSK 9089 | GSK9089 | N'-[(1E)-[4-(diethylamino)phe...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
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n/an/an/an/a 130n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22440
PNG
(Acyl Hydrazone, 5 | N'-[(1E)-[4-(diethylamino)-2-h...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)c(O)c1
Show InChI InChI=1S/C18H21N3O3/c1-3-21(4-2)15-8-5-14(17(23)11-15)12-19-20-18(24)13-6-9-16(22)10-7-13/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)/b19-12+
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22447
PNG
(4-Hydroxybenzenesulfonohydrazide, 12 | N -{(1E)-[4...)
Show SMILES CCN(CC)c1ccc(C=NNS(=O)(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H21N3O3S/c1-3-20(4-2)15-7-5-14(6-8-15)13-18-19-24(22,23)17-11-9-16(21)10-12-17/h5-13,19,21H,3-4H2,1-2H3/b18-13+
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22442
PNG
(Acyl Hydrazone, 7 | N'-[(1E)-[4-(diethylamino)phen...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H21N3O/c1-3-21(4-2)17-12-10-15(11-13-17)14-19-20-18(22)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H,20,22)/b19-14+
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n/an/an/an/a 1.60E+3n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22443
PNG
(4-amino-N'-[(1E)-[4-(diethylamino)phenyl]methylide...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C18H22N4O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+
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n/an/an/an/a 630n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22444
PNG
(Acyl Hydrazone, 9 | N'-[(1E)-[4-(diethylamino)phen...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H20FN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13+
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22445
PNG
(Acyl Hydrazone, 10 | N'-[(1E)-1-[4-(diethylamino)p...)
Show SMILES CCN(CC)c1ccc(cc1)C(C)=NNC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23N3O2/c1-4-22(5-2)17-10-6-15(7-11-17)14(3)20-21-19(24)16-8-12-18(23)13-9-16/h6-13,23H,4-5H2,1-3H3,(H,21,24)/b20-14+
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n/an/an/an/a 500n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22446
PNG
(4-hydroxy-N -{[4-(1-methylethyl)phenyl]carbonyl}be...)
Show SMILES CC(C)c1ccc(cc1)C(=O)NNC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H18N2O3/c1-11(2)12-3-5-13(6-4-12)16(21)18-19-17(22)14-7-9-15(20)10-8-14/h3-11,20H,1-2H3,(H,18,21)(H,19,22)
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22441
PNG
(Acyl Hydrazone, 6 | N'-[(1E)-[4-(tert-butoxy)pheny...)
Show SMILES CC(C)(C)Oc1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)23-16-10-4-13(5-11-16)12-19-20-17(22)14-6-8-15(21)9-7-14/h4-12,21H,1-3H3,(H,20,22)/b19-12+
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair