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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma'   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50446283
PNG
(CHEMBL3109235)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(Cl)cc4Cl)ccc3c2)cc1
Show InChI InChI=1S/C26H24Cl2N2O3S/c1-2-34(32,33)23-8-3-18(4-9-23)15-26(31)29-22-7-10-25-20(16-22)12-14-30(25)13-11-19-5-6-21(27)17-24(19)28/h3-10,12,14,16-17H,2,11,13,15H2,1H3,(H,29,31)
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445883
PNG
(CHEMBL3105690)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO4S2/c1-2-35(32,33)22-13-11-18(12-14-22)15-24(30)29-25-17-23(20-9-6-10-21(28)16-20)27(34-25)26(31)19-7-4-3-5-8-19/h3-14,16-17H,2,15H2,1H3,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445880
PNG
(CHEMBL3105670)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2F)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H21ClFNO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445879
PNG
(CHEMBL3105672)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2cccc(F)c2)-c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H21F4NO4S2/c1-2-39(36,37)22-11-9-17(10-12-22)13-24(34)33-25-16-23(18-5-3-7-20(14-18)28(30,31)32)27(38-25)26(35)19-6-4-8-21(29)15-19/h3-12,14-16H,2,13H2,1H3,(H,33,34)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445875
PNG
(CHEMBL3105671)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2cccc(F)c2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H21ClFNO4S2/c1-2-36(33,34)22-11-9-17(10-12-22)13-24(31)30-25-16-23(18-5-3-7-20(28)14-18)27(35-25)26(32)19-6-4-8-21(29)15-19/h3-12,14-16H,2,13H2,1H3,(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445882
PNG
(CHEMBL3105691)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2)-c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C28H22N2O4S2/c1-2-36(33,34)23-13-11-19(12-14-23)16-25(31)30-26-17-24(22-10-6-7-20(15-22)18-29)28(35-26)27(32)21-8-4-3-5-9-21/h3-15,17H,2,16H2,1H3,(H,30,31)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445881
PNG
(CHEMBL3105669)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2cccc(Cl)c2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)22-11-9-17(10-12-22)13-24(31)30-25-16-23(18-5-3-7-20(28)14-18)27(35-25)26(32)19-6-4-8-21(29)15-19/h3-12,14-16H,2,13H2,1H3,(H,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445876
PNG
(CHEMBL3105692)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446291
PNG
(CHEMBL3109227)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(cc4)C(F)(F)F)ccc3c2)cc1
Show InChI InChI=1S/C27H25F3N2O3S/c1-2-36(34,35)24-10-5-20(6-11-24)17-26(33)31-23-9-12-25-21(18-23)14-16-32(25)15-13-19-3-7-22(8-4-19)27(28,29)30/h3-12,14,16,18H,2,13,15,17H2,1H3,(H,31,33)
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TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446282
PNG
(CHEMBL3109324)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(Cl)c(Cl)c4)ccc3c2)cc1
Show InChI InChI=1S/C26H24Cl2N2O3S/c1-2-34(32,33)22-7-3-18(4-8-22)16-26(31)29-21-6-10-25-20(17-21)12-14-30(25)13-11-19-5-9-23(27)24(28)15-19/h3-10,12,14-15,17H,2,11,13,16H2,1H3,(H,29,31)
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TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445884
PNG
(CHEMBL3105686)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H23NO4S2/c1-2-34(31,32)22-15-13-19(14-16-22)17-24(29)28-25-18-23(20-9-5-3-6-10-20)27(33-25)26(30)21-11-7-4-8-12-21/h3-16,18H,2,17H2,1H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446286
PNG
(CHEMBL3109232)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(OC(C)C)cc4)ccc3c2)cc1
Show InChI InChI=1S/C29H32N2O4S/c1-4-36(33,34)27-12-7-23(8-13-27)19-29(32)30-25-9-14-28-24(20-25)16-18-31(28)17-15-22-5-10-26(11-6-22)35-21(2)3/h5-14,16,18,20-21H,4,15,17,19H2,1-3H3,(H,30,32)
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TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445893
PNG
(CHEMBL3105676)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O4S2/c1-2-35(32,33)21-13-11-17(12-14-21)15-22(30)28-26-29-23(19-9-6-10-20(27)16-19)25(34-26)24(31)18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,28,29,30)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50044146
PNG
(CHEMBL3314014)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C27H19ClF3N3O4S2/c1-2-40(36,37)20-9-6-16(7-10-20)13-23(35)33-26-34-24(18-5-3-4-17(12-18)15-32)25(39-26)38-22-11-8-19(28)14-21(22)27(29,30)31/h3-12,14H,2,13H2,1H3,(H,33,34,35)
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Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445891
PNG
(CHEMBL3105678)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C27H21N3O4S2/c1-2-36(33,34)22-13-11-18(12-14-22)16-23(31)29-27-30-24(21-10-6-7-19(15-21)17-28)26(35-27)25(32)20-8-4-3-5-9-20/h3-15H,2,16H2,1H3,(H,29,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446288
PNG
(CHEMBL3109230)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(Cl)cc4)ccc3c2)cc1
Show InChI InChI=1S/C26H25ClN2O3S/c1-2-33(31,32)24-10-5-20(6-11-24)17-26(30)28-23-9-12-25-21(18-23)14-16-29(25)15-13-19-3-7-22(27)8-4-19/h3-12,14,16,18H,2,13,15,17H2,1H3,(H,28,30)
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TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445877
PNG
(CHEMBL3105681)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445885
PNG
(CHEMBL3105685)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2cccc(F)c2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20ClFN2O4S2/c1-2-36(33,34)21-11-9-16(10-12-21)13-22(31)29-26-30-23(17-5-3-7-19(27)14-17)25(35-26)24(32)18-6-4-8-20(28)15-18/h3-12,14-15H,2,13H2,1H3,(H,29,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445888
PNG
(CHEMBL3105682)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2cccc(Cl)c2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)21-11-9-16(10-12-21)13-22(31)29-26-30-23(17-5-3-7-19(27)14-17)25(35-26)24(32)18-6-4-8-20(28)15-18/h3-12,14-15H,2,13H2,1H3,(H,29,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111680
PNG
(CHEMBL3605090)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3C(F)(F)F)s2)-c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C27H20F3N3O4S2/c1-2-39(35,36)20-12-10-17(11-13-20)15-23(34)32-26-33-24(19-7-5-6-18(14-19)16-31)25(38-26)37-22-9-4-3-8-21(22)27(28,29)30/h3-14H,2,15H2,1H3,(H,32,33,34)
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Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111599
PNG
(CHEMBL3605083)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3OC)s2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O5S2/c1-3-35(30,31)20-15-13-18(14-16-20)17-23(29)27-26-28-24(19-9-5-4-6-10-19)25(34-26)33-22-12-8-7-11-21(22)32-2/h4-16H,3,17H2,1-2H3,(H,27,28,29)
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n/an/a 251n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445895
PNG
(CHEMBL3105674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445886
PNG
(CHEMBL3105684)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2F)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20ClFN2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446298
PNG
(CHEMBL3109329)
Show SMILES CCCN(Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N2O3S/c1-3-17-33(19-22-5-11-24(12-6-22)28(29,30)31)20-23-7-13-25(14-8-23)32-27(34)18-21-9-15-26(16-10-21)37(35,36)4-2/h5-16H,3-4,17-20H2,1-2H3,(H,32,34)
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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445894
PNG
(CHEMBL3105675)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C26H21ClN2O4S2/c1-2-35(32,33)19-14-12-17(13-15-19)16-22(30)28-26-29-23(20-10-6-7-11-21(20)27)25(34-26)24(31)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,28,29,30)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111583
PNG
(CHEMBL3605092)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(cc3Cl)C(F)(F)F)s2)-c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C27H19ClF3N3O4S2/c1-2-40(36,37)20-9-6-16(7-10-20)13-23(35)33-26-34-24(18-5-3-4-17(12-18)15-32)25(39-26)38-22-11-8-19(14-21(22)28)27(29,30)31/h3-12,14H,2,13H2,1H3,(H,33,34,35)
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n/an/a 398n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446287
PNG
(CHEMBL3109231)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(cc4)C#N)ccc3c2)cc1
Show InChI InChI=1S/C27H25N3O3S/c1-2-34(32,33)25-10-7-21(8-11-25)17-27(31)29-24-9-12-26-23(18-24)14-16-30(26)15-13-20-3-5-22(19-28)6-4-20/h3-12,14,16,18H,2,13,15,17H2,1H3,(H,29,31)
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n/an/a 457n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111602
PNG
(CHEMBL3605085)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(cc3)C(F)(F)F)s2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H21F3N2O4S2/c1-2-37(33,34)21-14-8-17(9-15-21)16-22(32)30-25-31-23(18-6-4-3-5-7-18)24(36-25)35-20-12-10-19(11-13-20)26(27,28)29/h3-15H,2,16H2,1H3,(H,30,31,32)
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n/an/a 631n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445887
PNG
(CHEMBL3105683)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccc(Cl)cc2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)21-12-6-16(7-13-21)14-22(31)29-26-30-23(18-4-3-5-20(28)15-18)25(35-26)24(32)17-8-10-19(27)11-9-17/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446293
PNG
(CHEMBL3109225)
Show SMILES CCCN(CCc1ccc(cc1)C(F)(F)F)c1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1
Show InChI InChI=1S/C28H31F3N2O3S/c1-3-18-33(19-17-21-5-9-23(10-6-21)28(29,30)31)25-13-11-24(12-14-25)32-27(34)20-22-7-15-26(16-8-22)37(35,36)4-2/h5-16H,3-4,17-20H2,1-2H3,(H,32,34)
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n/an/a 733n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445892
PNG
(CHEMBL3105677)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H21ClN2O4S2/c1-2-35(32,33)21-14-8-17(9-15-21)16-22(30)28-26-29-23(18-10-12-20(27)13-11-18)25(34-26)24(31)19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H,28,29,30)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111588
PNG
(CHEMBL3605082)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3C(F)(F)F)s2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H21F3N2O4S2/c1-2-37(33,34)19-14-12-17(13-15-19)16-22(32)30-25-31-23(18-8-4-3-5-9-18)24(36-25)35-21-11-7-6-10-20(21)26(27,28)29/h3-15H,2,16H2,1H3,(H,30,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446292
PNG
(CHEMBL3109226)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NCCc3ccc(cc3)C(F)(F)F)c(Cl)c2)cc1
Show InChI InChI=1S/C25H24ClF3N2O3S/c1-2-35(33,34)21-10-5-18(6-11-21)15-24(32)31-20-9-12-23(22(26)16-20)30-14-13-17-3-7-19(8-4-17)25(27,28)29/h3-12,16,30H,2,13-15H2,1H3,(H,31,32)
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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111584
PNG
(CHEMBL3605081)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3Cl)s2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)19-14-12-17(13-15-19)16-22(29)27-25-28-23(18-8-4-3-5-9-18)24(33-25)32-21-11-7-6-10-20(21)26/h3-15H,2,16H2,1H3,(H,27,28,29)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111601
PNG
(CHEMBL3605084)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3)s2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)21-14-8-17(9-15-21)16-22(29)27-25-28-23(18-6-4-3-5-7-18)24(33-25)32-20-12-10-19(26)11-13-20/h3-15H,2,16H2,1H3,(H,27,28,29)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111678
PNG
(CHEMBL3605088)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3)s2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)21-13-11-17(12-14-21)15-22(29)27-25-28-23(18-7-6-8-19(26)16-18)24(33-25)32-20-9-4-3-5-10-20/h3-14,16H,2,15H2,1H3,(H,27,28,29)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111679
PNG
(CHEMBL3605089)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3C(F)(F)F)s2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20ClF3N2O4S2/c1-2-38(34,35)19-12-10-16(11-13-19)14-22(33)31-25-32-23(17-6-5-7-18(27)15-17)24(37-25)36-21-9-4-3-8-20(21)26(28,29)30/h3-13,15H,2,14H2,1H3,(H,31,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111677
PNG
(CHEMBL3605087)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccccc3)s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)21-14-8-17(9-15-21)16-22(29)27-25-28-23(18-10-12-19(26)13-11-18)24(33-25)32-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3,(H,27,28,29)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445890
PNG
(CHEMBL3105679)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2cccc(CN(C)C)c2)cc1
Show InChI InChI=1S/C29H29N3O4S2/c1-4-38(35,36)24-15-13-20(14-16-24)18-25(33)30-29-31-26(23-12-8-9-21(17-23)19-32(2)3)28(37-29)27(34)22-10-6-5-7-11-22/h5-17H,4,18-19H2,1-3H3,(H,30,31,33)
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n/an/a>7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50445889
PNG
(CHEMBL3105680)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H22N2O6S2/c1-2-37(34,35)21-13-11-17(12-14-21)15-22(30)28-27-29-23(19-9-6-10-20(16-19)26(32)33)25(36-27)24(31)18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,32,33)(H,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50446295
PNG
(CHEMBL3109223)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CNCc3ccc(cc3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H25F3N2O3S/c1-2-34(32,33)23-13-7-18(8-14-23)15-24(31)30-22-11-5-20(6-12-22)17-29-16-19-3-9-21(10-4-19)25(26,27)28/h3-14,29H,2,15-17H2,1H3,(H,30,31)
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Article
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50111610
PNG
(CHEMBL3605086)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(OC)cc3)s2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O5S2/c1-3-35(30,31)22-15-9-18(10-16-22)17-23(29)27-26-28-24(19-7-5-4-6-8-19)25(34-26)33-21-13-11-20(32-2)12-14-21/h4-16H,3,17H2,1-2H3,(H,27,28,29)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA


Bioorg Med Chem 23: 5293-302 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50105922
PNG
(CHEMBL3598041)
Show SMILES CC(C)c1c(cnn1C)-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C23H22ClF4N3O2/c1-13(2)21-15(11-29-31(21)4)14-8-9-18(19(10-14)33-12-23(26,27)28)30(3)22(32)20-16(24)6-5-7-17(20)25/h5-11,13H,12H2,1-4H3/i3D3
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n/an/an/an/a 818n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50105925
PNG
(CHEMBL3598044)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC2CCC2)c1
Show InChI InChI=1S/C27H30ClFN4O3/c1-16(2)33-23(14-25(31-33)30-17(3)34)19-11-12-22(24(13-19)36-15-18-7-5-8-18)32(4)27(35)26-20(28)9-6-10-21(26)29/h6,9-14,16,18H,5,7-8,15H2,1-4H3,(H,30,31,34)/i4D3
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n/an/an/an/a 3.11E+3n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50105928
PNG
(CHEMBL3598047)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)/i4D3
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n/an/an/an/a 38n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50106009
PNG
(CHEMBL3598076)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C26H30ClFN6O2/c1-16(2)34-21(14-23(31-34)30-17(3)35)18-13-22(33-11-6-5-7-12-33)25(29-15-18)32(4)26(36)24-19(27)9-8-10-20(24)28/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,30,31,35)
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n/an/an/an/a 34n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50105930
PNG
(CHEMBL3598049)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C27H31ClFN5O2/c1-17(2)34-23(16-25(31-34)30-18(3)35)19-11-12-22(24(15-19)33-13-6-5-7-14-33)32(4)27(36)26-20(28)9-8-10-21(26)29/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,31,35)/i4D3
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n/an/an/an/a 11n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50105933
PNG
(CHEMBL3598051)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)
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n/an/an/an/a 110n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50105981
PNG
(CHEMBL3598052)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(Cl)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C27H29Cl2N5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)/i4D3
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n/an/an/an/a 73n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50105982
PNG
(CHEMBL3598053)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(C)cccc2F)c(c1)N1CC2CC2C1
Show InChI InChI=1/C28H32FN5O2/c1-16(2)34-24(13-26(31-34)30-18(4)35)19-9-10-23(25(12-19)33-14-20-11-21(20)15-33)32(5)28(36)27-17(3)7-6-8-22(27)29/h6-10,12-13,16,20-21H,11,14-15H2,1-5H3,(H,30,31,35)/i5D3
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n/an/an/an/a 355n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
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