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Compile Data Set for Download or QSAR

Found 10840 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma'   
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 (RORC)


(Homo sapiens (Human))
BDBM50044179
PNG
(CHEMBL3314002 | US10301272, Example 7/4)
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)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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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)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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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)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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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)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50044179
PNG
(CHEMBL3314002 | US10301272, Example 7/4)
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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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM392138
PNG
(US10301272, Example 15 | US10301272, Example 16)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CS(=O)(=O)C2)c2ccccc12
Show InChI InChI=1S/C28H35N3O5S3/c1-28(2,3)31-39(35,36)24-14-13-22(20-11-7-8-12-21(20)24)25-23(15-18-9-5-4-6-10-18)30-27(37-25)26(32)29-19-16-38(33,34)17-19/h7-8,11-14,18-19,31H,4-6,9-10,15-17H2,1-3H3,(H,29,32)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM392144
PNG
(US10301272, Example 15/6)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl
Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM268455
PNG
(4-[8-chloro-3-(2-chloro-6- cyclopropyl- benzoyl)im...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccc(Cl)c12
Show InChI InChI=1S/C24H16Cl2N2O4/c25-16-4-1-3-14(12-6-7-12)19(16)22(30)23-27-20(21-17(26)5-2-10-28(21)23)13-8-9-15(24(31)32)18(29)11-13/h1-5,8-12,29H,6-7H2,(H,31,32)
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n/an/an/an/a 2n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50106285
PNG
(CHEMBL3596279 | US9550771, Example 91)
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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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)


Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50106287
PNG
(CHEMBL3598148 | US9550771, Example 17)
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 Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50106287
PNG
(CHEMBL3598148 | US9550771, Example 17)
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)


Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50106285
PNG
(CHEMBL3596279 | US9550771, Example 91)
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 Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM392075
PNG
(US10301272, Example 7/8)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2CCCCc12
Show InChI InChI=1S/C30H41N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h13-14,18-20,33H,4-12,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM392013
PNG
(US10301272, Example 6/11)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CCOCC2)c2ccccc12
Show InChI InChI=1S/C30H39N3O4S2/c1-30(2,3)33-39(35,36)26-14-13-24(22-11-7-8-12-23(22)26)27-25(19-20-9-5-4-6-10-20)32-29(38-27)28(34)31-21-15-17-37-18-16-21/h7-8,11-14,20-21,33H,4-6,9-10,15-19H2,1-3H3,(H,31,34)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM392076
PNG
(US10301272, Example 7/9)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM268449
PNG
(4-[6-(azetidine-1-carbonyl)-3-(2- chloro-6-cyclopr...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cc(ccc12)C(=O)N1CCC1
Show InChI InChI=1S/C28H22ClN3O4/c29-21-4-1-3-20(16-5-6-16)23(21)25(33)26-30-24(17-7-9-18(10-8-17)28(35)36)22-12-11-19(15-32(22)26)27(34)31-13-2-14-31/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,35,36)
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Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268454
PNG
(4-[3-(2-chloro-6-morpholino- benzoyl)imidazo[1,5-a...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2N2CCOCC2)n2ccccc12
Show InChI InChI=1S/C25H20ClN3O5/c26-17-4-3-6-18(28-10-12-34-13-11-28)21(17)23(31)24-27-22(19-5-1-2-9-29(19)24)15-7-8-16(25(32)33)20(30)14-15/h1-9,14,30H,10-13H2,(H,32,33)
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Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268413
PNG
(2-hydroxy-4-[3-[2- (trifluoromethyl)benzoyl]imidaz...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-14(21(30)31)17(28)11-12/h1-11,28H,(H,30,31)
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Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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)


Article DOI: 10.1021/ml500420y
BindingDB Entry DOI: 10.7270/Q2TT4SPB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268425
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H16ClF3N2O4/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/h3-5,7-8,10,29H,1-2,6,9H2,(H,31,32)
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n/an/an/an/a 3n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268439
PNG
(4-[3-(2- cyclopropylbenzoyl)imidazo[1,5- a]pyridin...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C24H18N2O4/c27-20-13-15(10-11-18(20)24(29)30)21-19-7-3-4-12-26(19)23(25-21)22(28)17-6-2-1-5-16(17)14-8-9-14/h1-7,10-14,27H,8-9H2,(H,29,30)
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n/an/an/an/a 3n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268417
PNG
(4-[3-(2,6- dichlorobenzoyl)imidazo[1,5 a]pyridin-1...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h1-10,26H,(H,28,29)
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n/an/an/an/a 3n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268483
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1O
Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-5-3-4-12(22(25,26)27)15(13)19(31)20-28-17(14-6-1-2-9-29(14)20)10-7-8-11(21(32)33)18(30)16(10)24/h3-5,7-8,30H,1-2,6,9H2,(H,32,33)
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n/an/an/an/a 4n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268479
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1c(O)cc(cc1F)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H15ClF4N2O4/c23-12-5-3-4-11(22(25,26)27)16(12)19(31)20-28-18(14-6-1-2-7-29(14)20)10-8-13(24)17(21(32)33)15(30)9-10/h3-5,8-9,30H,1-2,6-7H2,(H,32,33)
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n/an/an/an/a 4n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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n/an/an/an/a 4n/an/an/an/a



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)


Article DOI: 10.1021/ml500420y
BindingDB Entry DOI: 10.7270/Q2TT4SPB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50106287
PNG
(CHEMBL3598148 | US9550771, Example 17)
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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n/an/an/an/a 4n/an/an/an/a



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)


Article DOI: 10.1016/j.bmcl.2015.05.055
BindingDB Entry DOI: 10.7270/Q2HT2R3R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM392074
PNG
(US10301272, Example 7/7)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C26H33Cl2N3O5S2/c1-26(2,3)31-38(35,36)19-10-9-17(20(27)21(19)28)22-18(11-14-7-5-4-6-8-14)30-24(37-22)23(32)29-16-12-15(13-16)25(33)34/h9-10,14-16,31H,4-8,11-13H2,1-3H3,(H,29,32)(H,33,34)/t15-,16-
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n/an/an/an/a 4.60n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM50271677
PNG
(CHEMBL4130294)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc(CC3CCCCC3)c(s2)-c2ccc(c3ccccc23)S(=O)(=O)NC(C)(C)C)cc1
Show InChI InChI=1S/C34H41N3O5S3/c1-5-44(39,40)25-17-15-24(16-18-25)22-35-32(38)33-36-29(21-23-11-7-6-8-12-23)31(43-33)28-19-20-30(27-14-10-9-13-26(27)28)45(41,42)37-34(2,3)4/h9-10,13-20,23,37H,5-8,11-12,21-22H2,1-4H3,(H,35,38)
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n/an/an/an/a 5.40n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM392099
PNG
(US10301272, Example 8/4)
Show SMILES CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(s1)-c1ccc(c2ccccc12)S(=O)(=O)NC1(CC1)C#N
Show InChI InChI=1S/C29H34N4O4S2/c1-28(2,35)18-31-26(34)27-32-23(16-19-8-4-3-5-9-19)25(38-27)22-12-13-24(21-11-7-6-10-20(21)22)39(36,37)33-29(17-30)14-15-29/h6-7,10-13,19,33,35H,3-5,8-9,14-16,18H2,1-2H3,(H,31,34)
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n/an/an/an/a 5.80n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr


Bioorg Med Chem Lett 28: 1446-1455 (2018)

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


(Homo sapiens (Human))
BDBM310131
PNG
(US10377768, Compound 45 | US9657033, Compound 45)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CN(c2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2C1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1/C26H25Cl3N4O5S/c1-26(2,3)38-25(35)32-17-11-21-22(33(14-17)39(36,37)18-7-4-6-15(27)10-18)12-16(13-30-21)31-24(34)23-19(28)8-5-9-20(23)29/h4-10,12-13,17H,11,14H2,1-3H3,(H,31,34)(H,32,35)/t17-/s2
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n/an/an/an/a 6n/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged RORγ-LBD protein was expressed in SF9 cells using a baculovirus expression system. The RORγ-LBD protein was purified by glutathi...


US Patent US10377768 (2019)

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


(Homo sapiens (Human))
BDBM310110
PNG
(US10377768, Compound 24 | US9657033, Compound 24)
Show SMILES C[C@H]1CN(c2cc(NC(=O)c3c(F)cccc3C(F)(F)F)cnc2O1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1/C23H19F4N3O4S/c1-13-5-3-6-16(9-13)35(32,33)30-12-14(2)34-22-19(30)10-15(11-28-22)29-21(31)20-17(23(25,26)27)7-4-8-18(20)24/h3-11,14H,12H2,1-2H3,(H,29,31)/t14-/s2
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n/an/an/an/a 6n/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged RORγ-LBD protein was expressed in SF9 cells using a baculovirus expression system. The RORγ-LBD protein was purified by glutathi...


US Patent US10377768 (2019)

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


(Homo sapiens (Human))
BDBM310110
PNG
(US10377768, Compound 24 | US9657033, Compound 24)
Show SMILES C[C@H]1CN(c2cc(NC(=O)c3c(F)cccc3C(F)(F)F)cnc2O1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1/C23H19F4N3O4S/c1-13-5-3-6-16(9-13)35(32,33)30-12-14(2)34-22-19(30)10-15(11-28-22)29-21(31)20-17(23(25,26)27)7-4-8-18(20)24/h3-11,14H,12H2,1-2H3,(H,29,31)/t14-/s2
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n/an/an/an/a 6n/an/an/an/a



Lycera Corporation

US Patent


Assay Description
HIS-tagged RORγ-LBD protein was expressed in SF9 cells using a baculovirus expression system. The RORγ-LBD protein was purified by glutathi...


US Patent US9657033 (2017)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q24Q7X2T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310131
PNG
(US10377768, Compound 45 | US9657033, Compound 45)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CN(c2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2C1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1/C26H25Cl3N4O5S/c1-26(2,3)38-25(35)32-17-11-21-22(33(14-17)39(36,37)18-7-4-6-15(27)10-18)12-16(13-30-21)31-24(34)23-19(28)8-5-9-20(23)29/h4-10,12-13,17H,11,14H2,1-3H3,(H,31,34)(H,32,35)/t17-/s2
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n/an/an/an/a 6n/an/an/an/a



Lycera Corporation

US Patent


Assay Description
HIS-tagged RORγ-LBD protein was expressed in SF9 cells using a baculovirus expression system. The RORγ-LBD protein was purified by glutathi...


US Patent US9657033 (2017)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q24Q7X2T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268474
PNG
(4-[3-[2-bromo-6- (trifluoromethyl)benzoyl]-5,6,7,8...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Br)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H16BrF3N2O4/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/h3-5,7-8,10,29H,1-2,6,9H2,(H,31,32)
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n/an/an/an/a 6n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268481
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1cc(F)c(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-5-3-4-12(22(25,26)27)17(13)19(31)20-28-18(15-6-1-2-7-29(15)20)10-9-16(30)11(21(32)33)8-14(10)24/h3-5,8-9,30H,1-2,6-7H2,(H,32,33)
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n/an/an/an/a 6n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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n/an/an/an/a 6n/an/an/an/a



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)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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n/an/an/an/a 6n/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)


Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268444
PNG
(4-[3-(2-chloro-6-cyclopropyl- benzoyl)-6- (dimethy...)
Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22ClN3O4/c1-30(2)26(33)18-12-13-21-23(16-8-10-17(11-9-16)27(34)35)29-25(31(21)14-18)24(32)22-19(15-6-7-15)4-3-5-20(22)28/h3-5,8-15H,6-7H2,1-2H3,(H,34,35)
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Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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/C23H26Cl2FN3O3S/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)


Article DOI: 10.1021/ml500420y
BindingDB Entry DOI: 10.7270/Q2TT4SPB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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n/an/an/an/a 6n/an/an/an/a



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)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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n/an/an/an/a 6n/an/an/an/a



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)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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)


Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310121
PNG
(Synthesis of (S)-2,6-dichloro-N-((3-cyclopropylphe...)
Show SMILES C[C@H]1CN(c2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2O1)S(=O)(=O)c1cccc(c1)C1CC1
Show InChI InChI=1/C24H21Cl2N3O4S/c1-14-13-29(34(31,32)18-5-2-4-16(10-18)15-8-9-15)21-11-17(12-27-24(21)33-14)28-23(30)22-19(25)6-3-7-20(22)26/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,28,30)/t14-/s2
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n/an/an/an/a 7n/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged RORγ-LBD protein was expressed in SF9 cells using a baculovirus expression system. The RORγ-LBD protein was purified by glutathi...


US Patent US10377768 (2019)

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


(Homo sapiens (Human))
BDBM310121
PNG
(Synthesis of (S)-2,6-dichloro-N-((3-cyclopropylphe...)
Show SMILES C[C@H]1CN(c2cc(NC(=O)c3c(Cl)cccc3Cl)cnc2O1)S(=O)(=O)c1cccc(c1)C1CC1
Show InChI InChI=1/C24H21Cl2N3O4S/c1-14-13-29(34(31,32)18-5-2-4-16(10-18)15-8-9-15)21-11-17(12-27-24(21)33-14)28-23(30)22-19(25)6-3-7-20(22)26/h2-7,10-12,14-15H,8-9,13H2,1H3,(H,28,30)/t14-/s2
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n/an/an/an/a 7n/an/an/an/a



Lycera Corporation

US Patent


Assay Description
HIS-tagged RORγ-LBD protein was expressed in SF9 cells using a baculovirus expression system. The RORγ-LBD protein was purified by glutathi...


US Patent US9657033 (2017)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q24Q7X2T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268475
PNG
(4-[3-(2-bromo-6-chloro-benzoyl)- 5,6,7,8-tetrahydr...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Br)n2CCCCc12
Show InChI InChI=1S/C21H16BrClN2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h3-5,7-8,10,26H,1-2,6,9H2,(H,28,29)
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n/an/an/an/a 7n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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n/an/an/an/a 7n/an/an/an/a



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)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM268427
PNG
(2-acetoxy-4-[3-[2-chloro-6- (trifluoromethyl)benzo...)
Show SMILES CC(=O)Oc1cc(ccc1C(O)=O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C24H14ClF3N2O5/c1-12(31)35-18-11-13(8-9-14(18)23(33)34)20-17-7-2-3-10-30(17)22(29-20)21(32)19-15(24(26,27)28)5-4-6-16(19)25/h2-11H,1H3,(H,33,34)
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n/an/an/an/a 7n/an/an/a25



Genentech Inc

US Patent


Assay Description
ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...


US Patent US9550771 (2017)


Article DOI: 10.1016/j.bmcl.2006.01.011
BindingDB Entry DOI: 10.7270/Q2417036
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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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n/an/an/an/a 7n/an/an/an/a



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)


Article DOI: 10.1021/ml500420y
BindingDB Entry DOI: 10.7270/Q2TT4SPB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (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)


Article DOI: 10.1016/j.bmcl.2015.05.028
BindingDB Entry DOI: 10.7270/Q2X3508H
More data for this
Ligand-Target Pair
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