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PubMed code 27043267

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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-gamma


(Homo sapiens (Human))		BDBM50005410
PNG
(CHEMBL139197 | CHEMBL2137199)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
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n/an/a 110n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165111
PNG
(CHEMBL3799398)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H17Cl2N3O3S/c1-15-2-9-19(10-3-15)31(29,30)27(18-8-11-20(23)21(24)12-18)14-22(28)26-17-6-4-16(13-25)5-7-17/h2-12H,14H2,1H3,(H,26,28)
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n/an/a 220n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165083
PNG
(CHEMBL3800071)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C(N)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O4S/c1-15-5-11-20(12-6-15)34(32,33)29(19-4-2-3-17(13-19)23(24,25)26)14-21(30)28-18-9-7-16(8-10-18)22(27)31/h2-13H,14H2,1H3,(H2,27,31)(H,28,30)
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n/an/a 420n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165088
PNG
(CHEMBL3798862)
Show SMILES CC(=O)c1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H21F3N2O4S/c1-16-6-12-22(13-7-16)34(32,33)29(21-5-3-4-19(14-21)24(25,26)27)15-23(31)28-20-10-8-18(9-11-20)17(2)30/h3-14H,15H2,1-2H3,(H,28,31)
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n/an/a 590n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165108
PNG
(CHEMBL3800208)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O3S/c1-16-2-12-21(13-3-16)33(31,32)29(20-10-6-18(7-11-20)23(24,25)26)15-22(30)28-19-8-4-17(14-27)5-9-19/h2-13H,15H2,1H3,(H,28,30)
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n/an/a 620n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165114
PNG
(CHEMBL3798354)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)C#N)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H21N3O3S/c1-18-7-13-22(14-8-18)26(30(28,29)17-20-5-3-2-4-6-20)16-23(27)25-21-11-9-19(15-24)10-12-21/h2-14H,16-17H2,1H3,(H,25,27)
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n/an/a 630n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165111
PNG
(CHEMBL3799398)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H17Cl2N3O3S/c1-15-2-9-19(10-3-15)31(29,30)27(18-8-11-20(23)21(24)12-18)14-22(28)26-17-6-4-16(13-25)5-7-17/h2-12H,14H2,1H3,(H,26,28)
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n/an/a 630n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165081
PNG
(CHEMBL3799786)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O3S/c1-16-5-11-21(12-6-16)33(31,32)29(20-4-2-3-18(13-20)23(24,25)26)15-22(30)28-19-9-7-17(14-27)8-10-19/h2-13H,15H2,1H3,(H,28,30)
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n/an/a 770n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165081
PNG
(CHEMBL3799786)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O3S/c1-16-5-11-21(12-6-16)33(31,32)29(20-4-2-3-18(13-20)23(24,25)26)15-22(30)28-19-9-7-17(14-27)8-10-19/h2-13H,15H2,1H3,(H,28,30)
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n/an/a 900n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165110
PNG
(CHEMBL3798928)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN3O3S/c1-16-2-12-21(13-3-16)30(28,29)26(20-10-6-18(23)7-11-20)15-22(27)25-19-8-4-17(14-24)5-9-19/h2-13H,15H2,1H3,(H,25,27)
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n/an/a 910n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50005410
PNG
(CHEMBL139197 | CHEMBL2137199)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
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n/an/a 910n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165121
PNG
(CHEMBL3798965)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O3S/c1-16-10-12-20(13-11-16)31(29,30)27(15-21(28)26-18-7-3-2-4-8-18)19-9-5-6-17(14-19)22(23,24)25/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,26,28)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165108
PNG
(CHEMBL3800208)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O3S/c1-16-2-12-21(13-3-16)33(31,32)29(20-10-6-18(7-11-20)23(24,25)26)15-22(30)28-19-8-4-17(14-27)5-9-19/h2-13H,15H2,1H3,(H,28,30)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165109
PNG
(CHEMBL3798333)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18N4O3S/c1-17-2-12-22(13-3-17)31(29,30)27(21-10-6-19(15-25)7-11-21)16-23(28)26-20-8-4-18(14-24)5-9-20/h2-13H,16H2,1H3,(H,26,28)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165115
PNG
(CHEMBL3800387)
Show SMILES COC(=O)c1ccccc1NC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H21F3N2O5S/c1-16-10-12-19(13-11-16)35(32,33)29(18-7-5-6-17(14-18)24(25,26)27)15-22(30)28-21-9-4-3-8-20(21)23(31)34-2/h3-14H,15H2,1-2H3,(H,28,30)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165112
PNG
(CHEMBL3800238)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)C#N)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN3O3S/c1-16-2-10-20(11-3-16)26(30(28,29)21-12-6-18(23)7-13-21)15-22(27)25-19-8-4-17(14-24)5-9-19/h2-13H,15H2,1H3,(H,25,27)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165113
PNG
(CHEMBL3797671)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)C#N)S(=O)(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H20FN3O3S/c1-17-2-12-22(13-3-17)27(31(29,30)16-19-4-8-20(24)9-5-19)15-23(28)26-21-10-6-18(14-25)7-11-21/h2-13H,15-16H2,1H3,(H,26,28)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165092
PNG
(CHEMBL3799613)
Show SMILES COc1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1OC
Show InChI InChI=1S/C24H23F3N2O5S/c1-16-7-10-20(11-8-16)35(31,32)29(19-6-4-5-17(13-19)24(25,26)27)15-23(30)28-18-9-12-21(33-2)22(14-18)34-3/h4-14H,15H2,1-3H3,(H,28,30)
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n/an/a 2.44E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165077
PNG
(CHEMBL3798227)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N2O3S/c1-15-5-11-20(12-6-15)32(30,31)28(19-4-2-3-16(13-19)22(24,25)26)14-21(29)27-18-9-7-17(23)8-10-18/h2-13H,14H2,1H3,(H,27,29)
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n/an/a 3.37E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164890
PNG
(CHEMBL3797522)
Show SMILES Cc1csc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)n1
Show InChI InChI=1S/C20H18F3N3O3S2/c1-13-6-8-17(9-7-13)31(28,29)26(11-18(27)25-19-24-14(2)12-30-19)16-5-3-4-15(10-16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25,27)
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n/an/a 3.65E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165080
PNG
(CHEMBL3798627)
Show SMILES COC(=O)c1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H21F3N2O5S/c1-16-6-12-21(13-7-16)35(32,33)29(20-5-3-4-18(14-20)24(25,26)27)15-22(30)28-19-10-8-17(9-11-19)23(31)34-2/h3-14H,15H2,1-2H3,(H,28,30)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165077
PNG
(CHEMBL3798227)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N2O3S/c1-15-5-11-20(12-6-15)32(30,31)28(19-4-2-3-16(13-19)22(24,25)26)14-21(29)27-18-9-7-17(23)8-10-18/h2-13H,14H2,1H3,(H,27,29)
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n/an/a 3.99E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164887
PNG
(CHEMBL3797260)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F5N2O3S/c1-14-5-8-18(9-6-14)33(31,32)29(17-4-2-3-15(11-17)22(25,26)27)13-21(30)28-20-10-7-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,28,30)
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n/an/a 4.54E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165120
PNG
(CHEMBL3798358)
Show SMILES COC(=O)c1cccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C24H21F3N2O5S/c1-16-9-11-21(12-10-16)35(32,33)29(20-8-4-6-18(14-20)24(25,26)27)15-22(30)28-19-7-3-5-17(13-19)23(31)34-2/h3-14H,15H2,1-2H3,(H,28,30)
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n/an/a 6.06E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164892
PNG
(CHEMBL3799931)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F4N2O3S/c1-16-5-11-21(12-6-16)33(31,32)29(20-4-2-3-18(13-20)23(25,26)27)15-22(30)28-14-17-7-9-19(24)10-8-17/h2-13H,14-15H2,1H3,(H,28,30)
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n/an/a 7.51E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164964
PNG
(CHEMBL3799866)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccncc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O3S/c1-16-5-7-20(8-6-16)32(30,31)28(19-4-2-3-18(13-19)22(23,24)25)15-21(29)27-14-17-9-11-26-12-10-17/h2-13H,14-15H2,1H3,(H,27,29)
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n/an/a 8.28E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165090
PNG
(CHEMBL3797968)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(O)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N2O4S/c1-15-5-11-20(12-6-15)32(30,31)27(18-4-2-3-16(13-18)22(23,24)25)14-21(29)26-17-7-9-19(28)10-8-17/h2-13,28H,14H2,1H3,(H,26,29)
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n/an/a 8.34E+3n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165112
PNG
(CHEMBL3800238)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)C#N)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN3O3S/c1-16-2-10-20(11-3-16)26(30(28,29)21-12-6-18(23)7-13-21)15-22(27)25-19-8-4-17(14-24)5-9-19/h2-13H,15H2,1H3,(H,25,27)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164893
PNG
(CHEMBL3797484)
Show SMILES CC(=O)N1CCN(CC1)C(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24F3N3O4S/c1-16-6-8-20(9-7-16)33(31,32)28(19-5-3-4-18(14-19)22(23,24)25)15-21(30)27-12-10-26(11-13-27)17(2)29/h3-9,14H,10-13,15H2,1-2H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165088
PNG
(CHEMBL3798862)
Show SMILES CC(=O)c1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H21F3N2O4S/c1-16-6-12-22(13-7-16)34(32,33)29(21-5-3-4-19(14-21)24(25,26)27)15-23(31)28-20-10-8-18(9-11-20)17(2)30/h3-14H,15H2,1-2H3,(H,28,31)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165080
PNG
(CHEMBL3798627)
Show SMILES COC(=O)c1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H21F3N2O5S/c1-16-6-12-21(13-7-16)35(32,33)29(20-5-3-4-18(14-20)24(25,26)27)15-22(30)28-19-10-8-17(9-11-19)23(31)34-2/h3-14H,15H2,1-2H3,(H,28,30)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165092
PNG
(CHEMBL3799613)
Show SMILES COc1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1OC
Show InChI InChI=1S/C24H23F3N2O5S/c1-16-7-10-20(11-8-16)35(31,32)29(19-6-4-5-17(13-19)24(25,26)27)15-23(30)28-18-9-12-21(33-2)22(14-18)34-3/h4-14H,15H2,1-3H3,(H,28,30)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164892
PNG
(CHEMBL3799931)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F4N2O3S/c1-16-5-11-21(12-6-16)33(31,32)29(20-4-2-3-18(13-20)23(25,26)27)15-22(30)28-14-17-7-9-19(24)10-8-17/h2-13H,14-15H2,1H3,(H,28,30)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165090
PNG
(CHEMBL3797968)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(O)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N2O4S/c1-15-5-11-20(12-6-15)32(30,31)27(18-4-2-3-16(13-18)22(23,24)25)14-21(29)26-17-7-9-19(28)10-8-17/h2-13,28H,14H2,1H3,(H,26,29)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164894
PNG
(CHEMBL3798836)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccc(O)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-16-5-11-21(12-6-16)33(31,32)28(19-4-2-3-18(13-19)23(24,25)26)15-22(30)27-14-17-7-9-20(29)10-8-17/h2-13,29H,14-15H2,1H3,(H,27,30)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164964
PNG
(CHEMBL3799866)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccncc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O3S/c1-16-5-7-20(8-6-16)32(30,31)28(19-4-2-3-18(13-19)22(23,24)25)15-21(29)27-14-17-9-11-26-12-10-17/h2-13H,14-15H2,1H3,(H,27,29)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164890
PNG
(CHEMBL3797522)
Show SMILES Cc1csc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)n1
Show InChI InChI=1S/C20H18F3N3O3S2/c1-13-6-8-17(9-7-13)31(28,29)26(11-18(27)25-19-24-14(2)12-30-19)16-5-3-4-15(10-16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25,27)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164894
PNG
(CHEMBL3798836)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccc(O)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-16-5-11-21(12-6-16)33(31,32)28(19-4-2-3-18(13-19)23(24,25)26)15-22(30)27-14-17-7-9-20(29)10-8-17/h2-13,29H,14-15H2,1H3,(H,27,30)
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n/an/a 2.21E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165113
PNG
(CHEMBL3797671)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)C#N)S(=O)(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H20FN3O3S/c1-17-2-12-22(13-3-17)27(31(29,30)16-19-4-8-20(24)9-5-19)15-23(28)26-21-10-6-18(14-25)7-11-21/h2-13H,15-16H2,1H3,(H,26,28)
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n/an/a 2.58E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165123
PNG
(CHEMBL3800363)
Show SMILES Cc1ccc(CNC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H23F3N2O3S/c1-17-6-10-19(11-7-17)15-28-23(30)16-29(21-5-3-4-20(14-21)24(25,26)27)33(31,32)22-12-8-18(2)9-13-22/h3-14H,15-16H2,1-2H3,(H,28,30)
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n/an/a 2.72E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165083
PNG
(CHEMBL3800071)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C(N)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O4S/c1-15-5-11-20(12-6-15)34(32,33)29(19-4-2-3-17(13-19)23(24,25)26)14-21(30)28-18-9-7-16(8-10-18)22(27)31/h2-13H,14H2,1H3,(H2,27,31)(H,28,30)
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n/an/a 3.51E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165110
PNG
(CHEMBL3798928)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C22H18FN3O3S/c1-16-2-12-21(13-3-16)30(28,29)26(20-10-6-18(23)7-11-20)15-22(27)25-19-8-4-17(14-24)5-9-19/h2-13H,15H2,1H3,(H,25,27)
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n/an/a 3.61E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165114
PNG
(CHEMBL3798354)
Show SMILES Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)C#N)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H21N3O3S/c1-18-7-13-22(14-8-18)26(30(28,29)17-20-5-3-2-4-6-20)16-23(27)25-21-11-9-19(15-24)10-12-21/h2-14H,16-17H2,1H3,(H,25,27)
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n/an/a 3.68E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164887
PNG
(CHEMBL3797260)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F5N2O3S/c1-14-5-8-18(9-6-14)33(31,32)29(17-4-2-3-15(11-17)22(25,26)27)13-21(30)28-20-10-7-16(23)12-19(20)24/h2-12H,13H2,1H3,(H,28,30)
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n/an/a 6.26E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165109
PNG
(CHEMBL3798333)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18N4O3S/c1-17-2-12-22(13-3-17)31(29,30)27(21-10-6-19(15-25)7-11-21)16-23(28)26-20-8-4-18(14-24)5-9-20/h2-13H,16H2,1H3,(H,26,28)
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n/an/a 6.53E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165075
PNG
(CHEMBL3799245)
Show SMILES COC(=O)c1ccc(CNC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C25H23F3N2O5S/c1-17-6-12-22(13-7-17)36(33,34)30(21-5-3-4-20(14-21)25(26,27)28)16-23(31)29-15-18-8-10-19(11-9-18)24(32)35-2/h3-14H,15-16H2,1-2H3,(H,29,31)
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n/an/a 6.71E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164889
PNG
(CHEMBL3798394)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3NO4S/c1-11-5-7-14(8-6-11)25(23,24)20(10-15(21)22)13-4-2-3-12(9-13)16(17,18)19/h2-9H,10H2,1H3,(H,21,22)
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n/an/a 9.33E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164891
PNG
(CHEMBL3797861)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N2O4S/c1-21-10-16-27(17-11-21)39(36,37)34(25-9-5-8-23(18-25)29(30,31)32)19-28(35)33-24-12-14-26(15-13-24)38-20-22-6-3-2-4-7-22/h2-18H,19-20H2,1H3,(H,33,35)
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n/an/a 9.39E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50165107
PNG
(CHEMBL3799700)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H19F9N2O4S/c1-15-5-11-20(12-6-15)41(39,40)36(19-4-2-3-17(13-19)23(26,27)28)14-21(37)35-18-9-7-16(8-10-18)22(38,24(29,30)31)25(32,33)34/h2-13,38H,14H2,1H3,(H,35,37)
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n/an/a 1.12E+5n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164889
PNG
(CHEMBL3798394)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3NO4S/c1-11-5-7-14(8-6-11)25(23,24)20(10-15(21)22)13-4-2-3-12(9-13)16(17,18)19/h2-9H,10H2,1H3,(H,21,22)
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n/an/a 1.52E+5n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50164893
PNG
(CHEMBL3797484)
Show SMILES CC(=O)N1CCN(CC1)C(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H24F3N3O4S/c1-16-6-8-20(9-7-16)33(31,32)28(19-5-3-4-18(14-19)22(23,24)25)15-21(30)27-12-10-26(11-13-27)17(2)29/h3-9,14H,10-13,15H2,1-2H3
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n/an/a 1.75E+5n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...

Eur J Med Chem 116: 13-26 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.052
BindingDB Entry DOI: 10.7270/Q2TT4SVK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%