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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50044136   
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))
BDBM50005484
PNG
(CHEMBL3234255 | CHEMBL344164)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-10-11-19(16-8-5-9-17(20(16)18)21(23)25)28(26,27)22-15-7-4-6-14(12-15)13(2)24/h4-12,22H,3H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005487
PNG
(CHEMBL3234259 | CHEMBL342856)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H20N2O5S/c1-4-23-16-9-11-19(14-6-5-7-15(20(14)16)21(23)24)29(25,26)22-13-8-10-17(27-2)18(12-13)28-3/h5-12,22H,4H2,1-3H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005481
PNG
(CHEMBL140923 | CHEMBL3234251)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)25)28(26,27)22-15-9-7-14(8-10-15)13(2)24/h4-12,22H,3H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005484
PNG
(CHEMBL3234255 | CHEMBL344164)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)C(C)=O
Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-10-11-19(16-8-5-9-17(20(16)18)21(23)25)28(26,27)22-15-7-4-6-14(12-15)13(2)24/h4-12,22H,3H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005487
PNG
(CHEMBL3234259 | CHEMBL342856)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H20N2O5S/c1-4-23-16-9-11-19(14-6-5-7-15(20(14)16)21(23)24)29(25,26)22-13-8-10-17(27-2)18(12-13)28-3/h5-12,22H,4H2,1-3H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005481
PNG
(CHEMBL140923 | CHEMBL3234251)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)25)28(26,27)22-15-9-7-14(8-10-15)13(2)24/h4-12,22H,3H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005488
PNG
(CHEMBL139135 | CHEMBL1494527)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N(C(=O)c1ccncc1)c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N3O5S/c1-3-28-22-11-12-23(20-5-4-6-21(24(20)22)26(28)31)35(32,33)29(18-7-9-19(34-2)10-8-18)25(30)17-13-15-27-16-14-17/h4-16H,3H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005485
PNG
(CHEMBL140836 | CHEMBL3234256)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C21H19N3O4S/c1-3-24-18-11-12-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)23-15-9-7-14(8-10-15)22-13(2)25/h4-12,23H,3H2,1-2H3,(H,22,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005488
PNG
(CHEMBL139135 | CHEMBL1494527)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N(C(=O)c1ccncc1)c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N3O5S/c1-3-28-22-11-12-23(20-5-4-6-21(24(20)22)26(28)31)35(32,33)29(18-7-9-19(34-2)10-8-18)25(30)17-13-15-27-16-14-17/h4-16H,3H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005482
PNG
(CHEMBL140772 | CHEMBL3234252)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H23N3O4S/c1-3-23-17-7-8-18(15-5-4-6-16(19(15)17)20(23)25)28(26,27)21-14-9-11-22(12-10-14)13(2)24/h4-8,14,21H,3,9-12H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005415
PNG
(CHEMBL142035 | CHEMBL3234030)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc2ccncc12
Show InChI InChI=1S/C22H17N3O3S/c1-2-25-19-9-10-20(15-6-4-7-16(21(15)19)22(25)26)29(27,28)24-18-8-3-5-14-11-12-23-13-17(14)18/h3-13,24H,2H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005490
PNG
(CHEMBL138702 | CHEMBL3234263)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H16Cl2N2O3S/c1-2-24-17-8-9-18(14-4-3-5-15(19(14)17)20(24)25)28(26,27)23-11-12-10-13(21)6-7-16(12)22/h3-10,23H,2,11H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005475
PNG
(CHEMBL140883 | CHEMBL3234246)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16N2O4S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)30(27,28)25-15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-14,25H,(H,24,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005415
PNG
(CHEMBL142035 | CHEMBL3234030)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc2ccncc12
Show InChI InChI=1S/C22H17N3O3S/c1-2-25-19-9-10-20(15-6-4-7-16(21(15)19)22(25)26)29(27,28)24-18-8-3-5-14-11-12-23-13-17(14)18/h3-13,24H,2H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005475
PNG
(CHEMBL140883 | CHEMBL3234246)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16N2O4S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)30(27,28)25-15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-14,25H,(H,24,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005477
PNG
(CHEMBL140546 | CHEMBL3234248)
Show SMILES COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc2)cc1
Show InChI InChI=1S/C25H19N3O5S/c1-33-18-11-9-16(10-12-18)26-24(29)15-5-7-17(8-6-15)28-34(31,32)22-14-13-21-23-19(22)3-2-4-20(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005476
PNG
(CHEMBL141978 | CHEMBL3234247)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1
Show InChI InChI=1S/C25H20N4O3S/c1-2-29-22-15-16-23(20-9-6-10-21(24(20)22)25(29)30)33(31,32)28-19-13-11-18(12-14-19)27-26-17-7-4-3-5-8-17/h3-16,28H,2H2,1H3/b27-26+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005476
PNG
(CHEMBL141978 | CHEMBL3234247)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1
Show InChI InChI=1S/C25H20N4O3S/c1-2-29-22-15-16-23(20-9-6-10-21(24(20)22)25(29)30)33(31,32)28-19-13-11-18(12-14-19)27-26-17-7-4-3-5-8-17/h3-16,28H,2H2,1H3/b27-26+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005482
PNG
(CHEMBL140772 | CHEMBL3234252)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C20H23N3O4S/c1-3-23-17-7-8-18(15-5-4-6-16(19(15)17)20(23)25)28(26,27)21-14-9-11-22(12-10-14)13(2)24/h4-8,14,21H,3,9-12H2,1-2H3
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n/an/a 270n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005474
PNG
(CHEMBL140714 | CHEMBL3234241)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCN1CCOCC1
Show InChI InChI=1S/C19H23N3O4S/c1-2-22-16-6-7-17(14-4-3-5-15(18(14)16)19(22)23)27(24,25)20-8-9-21-10-12-26-13-11-21/h3-7,20H,2,8-13H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005473
PNG
(CHEMBL3234240 | CHEMBL345036)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H19N3O4S/c25-21-17-3-1-2-16-19(9-8-18(22-21)20(16)17)29(26,27)23-14-4-6-15(7-5-14)24-10-12-28-13-11-24/h1-9,23H,10-13H2,(H,22,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005485
PNG
(CHEMBL140836 | CHEMBL3234256)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C21H19N3O4S/c1-3-24-18-11-12-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)23-15-9-7-14(8-10-15)22-13(2)25/h4-12,23H,3H2,1-2H3,(H,22,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005472
PNG
(CHEMBL141264 | CHEMBL3234034)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H23N3O4S/c1-2-26-20-10-11-21(18-4-3-5-19(22(18)20)23(26)27)31(28,29)24-16-6-8-17(9-7-16)25-12-14-30-15-13-25/h3-11,24H,2,12-15H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005474
PNG
(CHEMBL140714 | CHEMBL3234241)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCCN1CCOCC1
Show InChI InChI=1S/C19H23N3O4S/c1-2-22-16-6-7-17(14-4-3-5-15(18(14)16)19(22)23)27(24,25)20-8-9-21-10-12-26-13-11-21/h3-7,20H,2,8-13H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005477
PNG
(CHEMBL140546 | CHEMBL3234248)
Show SMILES COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc2)cc1
Show InChI InChI=1S/C25H19N3O5S/c1-33-18-11-9-16(10-12-18)26-24(29)15-5-7-17(8-6-15)28-34(31,32)22-14-13-21-23-19(22)3-2-4-20(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30)
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n/an/a 380n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005473
PNG
(CHEMBL3234240 | CHEMBL345036)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H19N3O4S/c25-21-17-3-1-2-16-19(9-8-18(22-21)20(16)17)29(26,27)23-14-4-6-15(7-5-14)24-10-12-28-13-11-24/h1-9,23H,10-13H2,(H,22,25)
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n/an/a 410n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005489
PNG
(CHEMBL138701 | CHEMBL3234262)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1nc(C)cc(n1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O3S/c1-3-27-14-7-8-15(12-5-4-6-13(18(12)14)19(27)28)31(29,30)24-10-17-25-11(2)9-16(26-17)20(21,22)23/h4-9,24H,3,10H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
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 420n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 430n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005472
PNG
(CHEMBL141264 | CHEMBL3234034)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H23N3O4S/c1-2-26-20-10-11-21(18-4-3-5-19(22(18)20)23(26)27)31(28,29)24-16-6-8-17(9-7-16)25-12-14-30-15-13-25/h3-11,24H,2,12-15H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005483
PNG
(CHEMBL138196 | CHEMBL3234253)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C21H25N3O4S/c1-3-24-18-7-8-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)22-13-15-9-11-23(12-10-15)14(2)25/h4-8,15,22H,3,9-13H2,1-2H3
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n/an/a 590n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005412
PNG
(CHEMBL138563 | CHEMBL3234025)
Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc4N(CC)C(=O)c5cccc3c45)sc2c1
Show InChI InChI=1S/C22H19N3O4S2/c1-3-25-17-10-11-19(14-6-5-7-15(20(14)17)21(25)26)31(27,28)24-22-23-16-9-8-13(29-4-2)12-18(16)30-22/h5-12H,3-4H2,1-2H3,(H,23,24)
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n/an/a 930n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005490
PNG
(CHEMBL138702 | CHEMBL3234263)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H16Cl2N2O3S/c1-2-24-17-8-9-18(14-4-3-5-15(19(14)17)20(24)25)28(26,27)23-11-12-10-13(21)6-7-16(12)22/h3-10,23H,2,11H2,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005413
PNG
(CHEMBL138148 | CHEMBL3234027)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C22H18FN3O3S/c1-2-26-19-8-9-20(16-4-3-5-17(21(16)19)22(26)27)30(28,29)24-12-15-11-13-10-14(23)6-7-18(13)25-15/h3-11,24-25H,2,12H2,1H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005412
PNG
(CHEMBL138563 | CHEMBL3234025)
Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc4N(CC)C(=O)c5cccc3c45)sc2c1
Show InChI InChI=1S/C22H19N3O4S2/c1-3-25-17-10-11-19(14-6-5-7-15(20(14)17)21(25)26)31(27,28)24-22-23-16-9-8-13(29-4-2)12-18(16)30-22/h5-12H,3-4H2,1-2H3,(H,23,24)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 2.01E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005528
PNG
(CHEMBL3234271 | CHEMBL344406)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1NC(\C(=C/c2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)C1=O)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O6S2/c22-21(23,24)19-17(20(29)28(27-19)13-3-8-16(9-4-13)36(26,32)33)11-14-5-10-18(34-14)12-1-6-15(7-2-12)35(25,30)31/h1-11,19,27H,(H2,25,30,31)(H2,26,32,33)/b17-11+
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n/an/a 2.44E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005479
PNG
(CHEMBL3234249 | SAVIPRAZOLE)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C24H25N3O5S/c1-5-27-19-12-13-20(17-10-7-11-18(21(17)19)22(27)28)33(30,31)26-16-9-6-8-15(14-16)25-23(29)32-24(2,3)4/h6-14,26H,5H2,1-4H3,(H,25,29)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005489
PNG
(CHEMBL138701 | CHEMBL3234262)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1nc(C)cc(n1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O3S/c1-3-27-14-7-8-15(12-5-4-6-13(18(12)14)19(27)28)31(29,30)24-10-17-25-11(2)9-16(26-17)20(21,22)23/h4-9,24H,3,10H2,1-2H3
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n/an/a 2.57E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005475
PNG
(CHEMBL140883 | CHEMBL3234246)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16N2O4S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)30(27,28)25-15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-14,25H,(H,24,26)
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n/an/a 3.09E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005479
PNG
(CHEMBL3234249 | SAVIPRAZOLE)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C24H25N3O5S/c1-5-27-19-12-13-20(17-10-7-11-18(21(17)19)22(27)28)33(30,31)26-16-9-6-8-15(14-16)25-23(29)32-24(2,3)4/h6-14,26H,5H2,1-4H3,(H,25,29)
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n/an/a 3.39E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 3.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 3.54E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005486
PNG
(CHEMBL142091 | CHEMBL3234257)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccccc1C(C)(C)C
Show InChI InChI=1S/C23H24N2O3S/c1-5-25-19-13-14-20(15-9-8-10-16(21(15)19)22(25)26)29(27,28)24-18-12-7-6-11-17(18)23(2,3)4/h6-14,24H,5H2,1-4H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005491
PNG
(CHEMBL3234285 | CHEMBL414616)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H17N3O5S2/c1-2-22-16-9-10-17(14-7-4-8-15(18(14)16)19(22)23)29(26,27)21-12-5-3-6-13(11-12)28(20,24)25/h3-11,21H,2H2,1H3,(H2,20,24,25)
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n/an/a 5.15E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005488
PNG
(CHEMBL139135 | CHEMBL1494527)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N(C(=O)c1ccncc1)c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N3O5S/c1-3-28-22-11-12-23(20-5-4-6-21(24(20)22)26(28)31)35(32,33)29(18-7-9-19(34-2)10-8-18)25(30)17-13-15-27-16-14-17/h4-16H,3H2,1-2H3
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n/an/a 5.88E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005514
PNG
(CHEMBL140658 | CHEMBL3234242)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)29(27,28)25-17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,25H,(H,24,26)
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n/an/a 5.93E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
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