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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'delhomel' and Initial = 'jf'   
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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434251
PNG
(CHEMBL2385732)
Show SMILES COC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:9|
Show InChI InChI=1S/C21H22N2O5/c1-13-18(20(24)27-3)19(23-21(25)22-13)15-9-10-16(17(11-15)26-2)28-12-14-7-5-4-6-8-14/h4-11,18-19H,12H2,1-3H3,(H,23,25)
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n/an/an/an/a 1.31E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434250
PNG
(CHEMBL2385733)
Show SMILES COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCC=C |t:22|
Show InChI InChI=1S/C23H24N2O5/c1-4-12-29-22(26)20-15(2)24-23(27)25-21(20)17-10-11-18(19(13-17)28-3)30-14-16-8-6-5-7-9-16/h4-11,13,20-21H,1,12,14H2,2-3H3,(H,25,27)
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n/an/an/an/a 2.29E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434244
PNG
(CHEMBL2385908)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:10|
Show InChI InChI=1S/C22H24N2O5/c1-4-28-21(25)19-14(2)23-22(26)24-20(19)16-10-11-17(18(12-16)27-3)29-13-15-8-6-5-7-9-15/h5-12,19-20H,4,13H2,1-3H3,(H,24,26)
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n/an/an/an/a 8.90E+3n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434237
PNG
(CHEMBL2385743)
Show SMILES CCOc1cc(ccc1OCc1ccccc1Cl)C1NC(=O)N=C(C)C1C(C)=O |t:24|
Show InChI InChI=1S/C22H23ClN2O4/c1-4-28-19-11-15(21-20(14(3)26)13(2)24-22(27)25-21)9-10-18(19)29-12-16-7-5-6-8-17(16)23/h5-11,20-21H,4,12H2,1-3H3,(H,25,27)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434257
PNG
(CHEMBL2385917)
Show SMILES COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 |t:22|
Show InChI InChI=1S/C27H26N2O5/c1-18-24(26(30)34-17-20-11-7-4-8-12-20)25(29-27(31)28-18)21-13-14-22(23(15-21)32-2)33-16-19-9-5-3-6-10-19/h3-15,24-25H,16-17H2,1-2H3,(H,29,31)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434245
PNG
(CHEMBL2385741)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCCOc1ccccc1)c1ccc(OCc2ccccc2)cc1 |t:1|
Show InChI InChI=1S/C27H26N2O5/c1-19-24(26(30)33-17-16-32-22-10-6-3-7-11-22)25(29-27(31)28-19)21-12-14-23(15-13-21)34-18-20-8-4-2-5-9-20/h2-15,24-25H,16-18H2,1H3,(H,29,31)
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n/an/an/an/a 8.10E+3n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434239
PNG
(CHEMBL2385915)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1CC)c1ccc(OCc2ccccc2)c(OC)c1 |c:10|
Show InChI InChI=1S/C23H26N2O5/c1-4-17-20(22(26)29-5-2)21(25-23(27)24-17)16-11-12-18(19(13-16)28-3)30-14-15-9-7-6-8-10-15/h6-13,20-21H,4-5,14H2,1-3H3,(H,25,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434246
PNG
(CHEMBL2385087)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)cc1 |c:10|
Show InChI InChI=1S/C21H22N2O4/c1-3-26-20(24)18-14(2)22-21(25)23-19(18)16-9-11-17(12-10-16)27-13-15-7-5-4-6-8-15/h4-12,18-19H,3,13H2,1-2H3,(H,23,25)
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n/an/an/an/a 4.30E+3n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434252
PNG
(CHEMBL2385730)
Show SMILES COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCCSC |t:22|
Show InChI InChI=1S/C23H26N2O5S/c1-15-20(22(26)29-11-12-31-3)21(25-23(27)24-15)17-9-10-18(19(13-17)28-2)30-14-16-7-5-4-6-8-16/h4-10,13,20-21H,11-12,14H2,1-3H3,(H,25,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434240
PNG
(CHEMBL2385914)
Show SMILES CCOC(=O)C1C(N(C)C(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C23H26N2O5/c1-5-29-22(26)20-15(2)24-23(27)25(3)21(20)17-11-12-18(19(13-17)28-4)30-14-16-9-7-6-8-10-16/h6-13,20-21H,5,14H2,1-4H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434247
PNG
(CHEMBL2385740)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCC(F)(F)F)c1ccc(OCc2ccccc2)cc1 |t:1|
Show InChI InChI=1S/C21H19F3N2O4/c1-13-17(19(27)30-12-21(22,23)24)18(26-20(28)25-13)15-7-9-16(10-8-15)29-11-14-5-3-2-4-6-14/h2-10,17-18H,11-12H2,1H3,(H,26,28)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434241
PNG
(CHEMBL2385913)
Show SMILES CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(OCc2ccccc2)c(OC)c1 |c:5|
Show InChI InChI=1S/C23H26N2O5/c1-5-29-22(26)20-15(2)25(3)23(27)24-21(20)17-11-12-18(19(13-17)28-4)30-14-16-9-7-6-8-10-16/h6-13,21H,5,14H2,1-4H3,(H,24,27)
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n/an/an/an/a>1.90E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434243
PNG
(CHEMBL2385912)
Show SMILES COc1cc(ccc1OCc1ccccc1Cl)C1NC(=O)N=C(C)C1C(C)=O |t:23|
Show InChI InChI=1S/C21H21ClN2O4/c1-12-19(13(2)25)20(24-21(26)23-12)14-8-9-17(18(10-14)27-3)28-11-15-6-4-5-7-16(15)22/h4-10,19-20H,11H2,1-3H3,(H,24,26)
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n/an/an/an/a 2.82E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434253
PNG
(CHEMBL2385726)
Show SMILES COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCc1ccc2OCOc2c1 |t:22|
Show InChI InChI=1S/C28H26N2O7/c1-17-25(27(31)35-15-19-8-10-22-24(12-19)37-16-36-22)26(30-28(32)29-17)20-9-11-21(23(13-20)33-2)34-14-18-6-4-3-5-7-18/h3-13,25-26H,14-16H2,1-2H3,(H,30,32)
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n/an/an/an/a 1.25E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434254
PNG
(CHEMBL2385725)
Show SMILES COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC |c:15|
Show InChI InChI=1S/C29H30N2O7/c1-18-26(28(32)38-17-20-10-12-22(34-2)24(14-20)35-3)27(31-29(33)30-18)21-11-13-23(25(15-21)36-4)37-16-19-8-6-5-7-9-19/h5-15,26-27H,16-17H2,1-4H3,(H,31,33)
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n/an/an/an/a 2.63E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434242
PNG
(CHEMBL2385909)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCCc2ccccc2)c(OC)c1 |c:10|
Show InChI InChI=1S/C23H26N2O5/c1-4-29-22(26)20-15(2)24-23(27)25-21(20)17-10-11-18(19(14-17)28-3)30-13-12-16-8-6-5-7-9-16/h5-11,14,20-21H,4,12-13H2,1-3H3,(H,25,27)
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n/an/an/an/a 2.03E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434248
PNG
(CHEMBL2385735)
Show SMILES COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCC(F)(F)F |t:22|
Show InChI InChI=1S/C22H21F3N2O5/c1-13-18(20(28)32-12-22(23,24)25)19(27-21(29)26-13)15-8-9-16(17(10-15)30-2)31-11-14-6-4-3-5-7-14/h3-10,18-19H,11-12H2,1-2H3,(H,27,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434255
PNG
(CHEMBL2385724)
Show SMILES COc1cccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(OCc3ccccc3)c(OC)c2)c1 |c:16|
Show InChI InChI=1S/C28H28N2O6/c1-18-25(27(31)36-17-20-10-7-11-22(14-20)33-2)26(30-28(32)29-18)21-12-13-23(24(15-21)34-3)35-16-19-8-5-4-6-9-19/h4-15,25-26H,16-17H2,1-3H3,(H,30,32)
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n/an/an/an/a 2.62E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434249
PNG
(CHEMBL2385734)
Show SMILES CCCCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1 |c:12|
Show InChI InChI=1S/C24H28N2O5/c1-4-5-13-30-23(27)21-16(2)25-24(28)26-22(21)18-11-12-19(20(14-18)29-3)31-15-17-9-7-6-8-10-17/h6-12,14,21-22H,4-5,13,15H2,1-3H3,(H,26,28)
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n/an/an/an/a 1.40E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434256
PNG
(CHEMBL2385723)
Show SMILES COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(OCc3ccccc3)c(OC)c2)cc1 |c:15|
Show InChI InChI=1S/C28H28N2O6/c1-18-25(27(31)36-17-20-9-12-22(33-2)13-10-20)26(30-28(32)29-18)21-11-14-23(24(15-21)34-3)35-16-19-7-5-4-6-8-19/h4-15,25-26H,16-17H2,1-3H3,(H,30,32)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50434238
PNG
(CHEMBL2385748)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1cc(OC)c(OCc2ccccc2Cl)cc1Cl |c:10|
Show InChI InChI=1S/C22H22Cl2N2O5/c1-4-30-21(27)19-12(2)25-22(28)26-20(19)14-9-17(29-3)18(10-16(14)24)31-11-13-7-5-6-8-15(13)23/h5-10,19-20H,4,11H2,1-3H3,(H,26,28)
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n/an/an/an/a 5.50E+3n/an/an/an/a



Genfit SA

Curated by ChEMBL


Assay Description
Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...


ACS Med Chem Lett 4: 504-8 (2013)


Article DOI: 10.1021/ml300471d
BindingDB Entry DOI: 10.7270/Q22R3T1B
More data for this
Ligand-Target Pair