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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'qian' and Initial = 'n'   
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50503736
PNG
(CHEMBL4475784)
Show SMILES Cl.Cl.COc1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H30N2O2/c1-29-25-11-13-26(14-12-25)30-20-15-22-7-9-23(10-8-22)21-27-16-18-28(19-17-27)24-5-3-2-4-6-24/h2-14H,15-21H2,1H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by ...


Bioorg Med Chem 27: 133-143 (2019)


Article DOI: 10.1016/j.bmc.2018.11.029
BindingDB Entry DOI: 10.7270/Q2TF01M1
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by ...


Bioorg Med Chem 27: 133-143 (2019)


Article DOI: 10.1016/j.bmc.2018.11.029
BindingDB Entry DOI: 10.7270/Q2TF01M1
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50503733
PNG
(CHEMBL4455261)
Show SMILES Cl.Cl.Cc1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H30N2O/c1-22-7-13-26(14-8-22)29-20-15-23-9-11-24(12-10-23)21-27-16-18-28(19-17-27)25-5-3-2-4-6-25/h2-14H,15-21H2,1H3
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n/an/a 3.66E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by ...


Bioorg Med Chem 27: 133-143 (2019)


Article DOI: 10.1016/j.bmc.2018.11.029
BindingDB Entry DOI: 10.7270/Q2TF01M1
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50503734
PNG
(CHEMBL4466881)
Show SMILES Cl.Cl.[O-][N+](=O)c1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H27N3O3/c29-28(30)24-10-12-25(13-11-24)31-19-14-21-6-8-22(9-7-21)20-26-15-17-27(18-16-26)23-4-2-1-3-5-23/h1-13H,14-20H2
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n/an/a 3.82E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by ...


Bioorg Med Chem 27: 133-143 (2019)


Article DOI: 10.1016/j.bmc.2018.11.029
BindingDB Entry DOI: 10.7270/Q2TF01M1
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50503732
PNG
(CHEMBL4553704)
Show SMILES Cl.Cl.FC(F)(F)c1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H27F3N2O/c27-26(28,29)23-10-12-25(13-11-23)32-19-14-21-6-8-22(9-7-21)20-30-15-17-31(18-16-30)24-4-2-1-3-5-24/h1-13H,14-20H2
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n/an/a 4.03E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by ...


Bioorg Med Chem 27: 133-143 (2019)


Article DOI: 10.1016/j.bmc.2018.11.029
BindingDB Entry DOI: 10.7270/Q2TF01M1
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50503735
PNG
(CHEMBL4476484)
Show SMILES Cl.Cl.N#Cc1ccc(OCCc2ccc(CN3CCN(CC3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H27N3O/c27-20-23-10-12-26(13-11-23)30-19-14-22-6-8-24(9-7-22)21-28-15-17-29(18-16-28)25-4-2-1-3-5-25/h1-13H,14-19,21H2
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n/an/a 4.22E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by ...


Bioorg Med Chem 27: 133-143 (2019)


Article DOI: 10.1016/j.bmc.2018.11.029
BindingDB Entry DOI: 10.7270/Q2TF01M1
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
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)
BDBM50525148
PNG
(CHEMBL1978769)
Show SMILES Cc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-18-9-8-10-19(2)25(18)30-26(31)24(15-21-16-28-23-14-7-6-13-22(21)23)29-27(32)33-17-20-11-4-3-5-12-20/h3-14,16,24,28H,15,17H2,1-2H3,(H,29,32)(H,30,31)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Shanghai Jiaotong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RANK binding to human RANKL measured after 1 h by surface plasmon resonance analysis


J Med Chem 62: 5370-5381 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02027
BindingDB Entry DOI: 10.7270/Q21R6TZ8
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
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