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Compile Data Set for Download or QSAR

Found 465 hits of ec50 data for polymerid = 50006469,6691   
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
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044179
PNG
(CHEMBL3314002)
Show SMILES CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1C
Show InChI InChI=1/C28H38ClN3O5S2/c1-5-28(3,4)32-39(36,37)22-12-11-20(23(29)16(22)2)24-21(13-17-9-7-6-8-10-17)31-26(38-24)25(33)30-19-14-18(15-19)27(34)35/h11-12,17-19,32H,5-10,13-15H2,1-4H3,(H,30,33)(H,34,35)/t18-,19-
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n/an/an/an/a 1n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 reporter assay


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044252
PNG
(CHEMBL3314018)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(c2)-c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-9-6-15(7-10-19)12-22(26)25-18-5-3-4-16(13-18)20-14-17(23)8-11-21(20)24/h3-11,13-14H,2,12H2,1H3,(H,25,26)
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n/an/an/an/a 1n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044145
PNG
(CHEMBL3314015)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(c2)C(C)C)cc1
Show InChI InChI=1S/C25H27NO3S/c1-4-30(28,29)22-13-10-19(11-14-22)16-25(27)26-21-12-15-23(24(17-21)18(2)3)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,27)
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Genentech

Curated by ChEMBL


Assay Description
Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044255
PNG
(CHEMBL3314016)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C23H19ClF3NO4S/c1-2-33(30,31)17-10-7-15(8-11-17)13-22(29)28-16-9-12-18(20(24)14-16)19-5-3-4-6-21(19)32-23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29)
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Genentech

Curated by ChEMBL


Assay Description
Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044254
PNG
(CHEMBL3314017)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)F)cc1
Show InChI InChI=1S/C23H19Cl2F2NO4S/c1-2-33(30,31)16-9-7-14(8-10-16)11-21(29)28-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)32-23(26)27/h3-10,12-13,23H,2,11H2,1H3,(H,28,29)
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Genentech

Curated by ChEMBL


Assay Description
Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106287
PNG
(CHEMBL3598148)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106285
PNG
(CHEMBL3596279)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12
Show InChI InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090086
PNG
(CHEMBL3581533 | US9216988, 92)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2F)c(F)c1
Show InChI InChI=1S/C24H29F2N3O3S/c1-18(30)27-11-13-28(14-12-27)22-10-9-19(24(26)15-22)16-29(21-6-4-7-21)33(31,32)17-20-5-2-3-8-23(20)25/h2-3,5,8-10,15,21H,4,6-7,11-14,16-17H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


ACS Med Chem Lett 6: 276-81 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106287
PNG
(CHEMBL3598148)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090092
PNG
(CHEMBL3581539 | US9216988, 85)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C24H29ClFN3O3S/c1-18(30)27-11-13-28(14-12-27)22-10-9-19(24(26)15-22)16-29(21-6-4-7-21)33(31,32)17-20-5-2-3-8-23(20)25/h2-3,5,8-10,15,21H,4,6-7,11-14,16-17H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


ACS Med Chem Lett 6: 276-81 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105930
PNG
(CHEMBL3598049)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(NC(C)=O)nn1C(C)C
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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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090104
PNG
(CHEMBL3581543 | US9216988, 97)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1
Show InChI InChI=1S/C20H21ClFNO2/c21-17-5-3-16(4-6-17)20(25)10-13-23(14-11-20)12-9-19(24)15-1-7-18(22)8-2-15/h1-8,25H,9-14H2
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Genentech

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as activa...


ACS Med Chem Lett 6: 276-81 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
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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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50035907
PNG
(CHEMBL3361050)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H32F3N3O4S2/c1-18(2)16-30(17-19-6-4-5-7-23(19)24(25,26)27)36(33,34)22-10-8-20(9-11-22)28-21-12-14-29(15-13-21)35(3,31)32/h4-11,18,21,28H,12-17H2,1-3H3
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Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 24: 5769-76 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
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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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105981
PNG
(CHEMBL3598052)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C
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 6.10n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090090
PNG
(CHEMBL3581537 | US9216988, 91)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C24H29F2N3O3S/c1-18(30)27-11-13-28(14-12-27)23-10-7-20(24(26)15-23)16-29(22-3-2-4-22)33(31,32)17-19-5-8-21(25)9-6-19/h5-10,15,22H,2-4,11-14,16-17H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


ACS Med Chem Lett 6: 276-81 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50035908
PNG
(CHEMBL3361051)
Show SMILES CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H30F3N3O4S2/c1-17(2)16-29(22-7-5-4-6-21(22)23(24,25)26)35(32,33)20-10-8-18(9-11-20)27-19-12-14-28(15-13-19)34(3,30)31/h4-11,17,19,27H,12-16H2,1-3H3
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Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 24: 5769-76 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105990
PNG
(CHEMBL3598057)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C2CC2)nn1C(C)C
Show InChI InChI=1/C29H31ClFN5O2/c1-16(2)36-24(13-26(33-36)32-28(37)17-7-8-17)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(3)29(38)27-21(30)5-4-6-22(27)31/h4-6,9-10,12-13,16-17,19-20H,7-8,11,14-15H2,1-3H3,(H,32,33,37)/i3D3
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n/an/an/an/a 7.60n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50108782
PNG
(CHEMBL3596639)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C26H24Cl2FN3O2/c1-31(26(34)24-20(28)6-5-7-21(24)29)22-11-9-16(15-23(22)32-12-3-2-4-13-32)18-14-17(25(30)33)8-10-19(18)27/h5-11,14-15H,2-4,12-13H2,1H3,(H2,30,33)
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n/an/an/an/a 8n/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at Gal4 DNA binding domain-tagged human RORgammat expressed in HEK293T cells assessed as effect on receptor-mediated transcr...


Bioorg Med Chem Lett 25: 2991-7 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
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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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105928
PNG
(CHEMBL3598047)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C
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 8.10n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
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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Genentech

Curated by ChEMBL


Assay Description
Activity at RoRc in mouse CD4+ T cells assessed as inhibition of IL-17 production


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106288
PNG
(CHEMBL3598149)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1
Show InChI InChI=1S/C22H11ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h1-10H,(H,31,32)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090094
PNG
(CHEMBL3581541 | US9216988, 89)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2cccc(Cl)c2)c(F)c1
Show InChI InChI=1S/C24H29ClFN3O3S/c1-18(30)27-10-12-28(13-11-27)23-9-8-20(24(26)15-23)16-29(22-6-3-7-22)33(31,32)17-19-4-2-5-21(25)14-19/h2,4-5,8-9,14-15,22H,3,6-7,10-13,16-17H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


ACS Med Chem Lett 6: 276-81 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106002
PNG
(CHEMBL3598070)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1
Show InChI InChI=1/C29H31ClFN5O2/c1-17(37)32-27-14-25(36(33-27)21-6-3-4-7-21)18-10-11-24(26(13-18)35-15-19-12-20(19)16-35)34(2)29(38)28-22(30)8-5-9-23(28)31/h5,8-11,13-14,19-21H,3-4,6-7,12,15-16H2,1-2H3,(H,32,33,37)/i2D3
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n/an/an/an/a 9.5n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
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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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106011
PNG
(CHEMBL3598077)
Show SMILES CC(C)c1nc(NC(C)=O)sc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34)
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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044180
PNG
(CHEMBL3314001)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CCS(=O)(=O)CC3)c2ccccc12
Show InChI InChI=1S/C32H41N3O5S3/c1-31(2,3)34-43(39,40)27-14-13-25(23-11-7-8-12-24(23)27)28-26(19-22-9-5-4-6-10-22)33-29(41-28)30(36)35-20-32(21-35)15-17-42(37,38)18-16-32/h7-8,11-14,22,34H,4-6,9-10,15-21H2,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 reporter assay


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
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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Genentech

Curated by ChEMBL


Assay Description
Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106286
PNG
(CHEMBL3598141)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-11H,(H,30,31)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106288
PNG
(CHEMBL3598149)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1
Show InChI InChI=1S/C22H11ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h1-10H,(H,31,32)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090088
PNG
(CHEMBL3581535 | US9216988, 90)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2cccc(F)c2)c(F)c1
Show InChI InChI=1S/C24H29F2N3O3S/c1-18(30)27-10-12-28(13-11-27)23-9-8-20(24(26)15-23)16-29(22-6-3-7-22)33(31,32)17-19-4-2-5-21(25)14-19/h2,4-5,8-9,14-15,22H,3,6-7,10-13,16-17H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


ACS Med Chem Lett 6: 276-81 (2015)

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


(Mus musculus)
BDBM50105930
PNG
(CHEMBL3598049)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(NC(C)=O)nn1C(C)C
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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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
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


Bioorg Med Chem Lett 25: 4109-13 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090083
PNG
(CHEMBL3581530 | US9216988, 96)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2)c(F)c1
Show InChI InChI=1S/C24H30FN3O3S/c1-19(29)26-12-14-27(15-13-26)23-11-10-21(24(25)16-23)17-28(22-8-5-9-22)32(30,31)18-20-6-3-2-4-7-20/h2-4,6-7,10-11,16,22H,5,8-9,12-15,17-18H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


ACS Med Chem Lett 6: 276-81 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105982
PNG
(CHEMBL3598053)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(C)cccc1F)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C
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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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105991
PNG
(CHEMBL3598060)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@H]2C[C@H](O)C2)nn1C(C)C
Show InChI InChI=1/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21-/i3D3
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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50035907
PNG
(CHEMBL3361050)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H32F3N3O4S2/c1-18(2)16-30(17-19-6-4-5-7-23(19)24(25,26)27)36(33,34)22-10-8-20(9-11-22)28-21-12-14-29(15-13-21)35(3,31)32/h4-11,18,21,28H,12-17H2,1-3H3
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Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain expressed in bacterial expression system assessed as inhibition ...


Bioorg Med Chem Lett 24: 5769-76 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50108775
PNG
(CHEMBL3596638)
Show SMILES CCN(CC)c1cc(ccc1N(C)C(=O)c1c(F)cccc1Cl)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C25H24Cl2FN3O2/c1-4-31(5-2)22-14-15(17-13-16(24(29)32)9-11-18(17)26)10-12-21(22)30(3)25(33)23-19(27)7-6-8-20(23)28/h6-14H,4-5H2,1-3H3,(H2,29,32)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at Gal4 DNA binding domain-tagged human RORgammat expressed in HEK293T cells assessed as effect on receptor-mediated transcr...


Bioorg Med Chem Lett 25: 2991-7 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106007
PNG
(CHEMBL3598074)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC1CC1
Show InChI InChI=1/C28H29ClFN5O2/c1-16(36)31-26-12-24(35(32-26)13-17-6-7-17)18-8-9-23(25(11-18)34-14-19-10-20(19)15-34)33(2)28(37)27-21(29)4-3-5-22(27)30/h3-5,8-9,11-12,17,19-20H,6-7,10,13-15H2,1-2H3,(H,31,32,36)/i2D3
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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106003
PNG
(CHEMBL3598071)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCC1
Show InChI InChI=1/C28H29ClFN5O2/c1-16(36)31-26-13-24(35(32-26)20-5-3-6-20)17-9-10-23(25(12-17)34-14-18-11-19(18)15-34)33(2)28(37)27-21(29)7-4-8-22(27)30/h4,7-10,12-13,18-20H,3,5-6,11,14-15H2,1-2H3,(H,31,32,36)/i2D3
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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
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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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50050117
PNG
(CHEMBL3317843 | US9216988, 54)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(CC(F)(F)F)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C22H26F3N3O3S/c1-18(29)26-11-13-27(14-12-26)21-9-7-19(8-10-21)15-28(17-22(23,24)25)32(30,31)16-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


Bioorg Med Chem Lett 24: 3891-7 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044182
PNG
(CHEMBL3313999)
Show SMILES CC(C)n1ccc[n+]1-c1ccc(cc1C(C)(C)C)-c1cc(C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(C)n1CC1CCCCC1
Show InChI InChI=1/C34H46N4O3/c1-22(2)37-15-10-16-38(37)30-14-13-25(19-29(30)34(4,5)6)31-20-28(32(39)35-27-17-26(18-27)33(40)41)23(3)36(31)21-24-11-8-7-9-12-24/h10,13-16,19-20,22,24,26-27H,7-9,11-12,17-18,21H2,1-6H3,(H-,35,39,40,41)/p+1/t26-,27-
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Genentech

Curated by ChEMBL


Assay Description
Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 reporter assay


J Med Chem 57: 5871-92 (2014)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106286
PNG
(CHEMBL3598141)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-11H,(H,30,31)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106285
PNG
(CHEMBL3596279)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12
Show InChI InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 25: 2907-12 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090122
PNG
(CHEMBL3581545 | US9216988, 116)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cc(F)cc(F)c2)c(F)c1
Show InChI InChI=1S/C23H26F3N3O3S/c1-16(30)27-7-9-28(10-8-27)21-6-5-17(23(26)14-21)15-29(20-3-2-4-20)33(31,32)22-12-18(24)11-19(25)13-22/h5-6,11-14,20H,2-4,7-10,15H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as activa...


ACS Med Chem Lett 6: 276-81 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105988
PNG
(CHEMBL3598056)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CC)nn1C(C)C
Show InChI InChI=1/C28H31ClFN5O2/c1-5-26(36)31-25-13-23(35(32-25)16(2)3)17-9-10-22(24(12-17)34-14-18-11-19(18)15-34)33(4)28(37)27-20(29)7-6-8-21(27)30/h6-10,12-13,16,18-19H,5,11,14-15H2,1-4H3,(H,31,32,36)/i4D3
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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106014
PNG
(CHEMBL3598058)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C(C)C)nn1C(C)C
Show InChI InChI=1/C29H33ClFN5O2/c1-16(2)28(37)32-26-13-24(36(33-26)17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)29(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,37)/i5D3
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Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay


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

More data for this
Ligand-Target Pair
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