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Compile Data Set for Download or QSAR

Found 176 hits from Biogen   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
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=1S/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/a 3n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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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n/an/a 3.20n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105992
PNG
(CHEMBL3598061)
Show SMILES CC(C)n1nc(NC(=O)CO)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C27H29ClFN5O3/c1-15(2)34-22(11-24(31-34)30-25(36)14-35)16-7-8-21(23(10-16)33-12-17-9-18(17)13-33)32(3)27(37)26-19(28)5-4-6-20(26)29/h4-8,10-11,15,17-18,35H,9,12-14H2,1-3H3,(H,30,31,36)/i3D3
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n/an/a 3.30n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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=1S/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/a 3.40n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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/a 3.80n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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=1S/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/a 4.80n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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=1S/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/a 4.90n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50105985
PNG
(CHEMBL3598055)
Show SMILES CC(C)n1nc(NC=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C26H27ClFN5O2/c1-15(2)33-22(11-24(30-33)29-14-34)16-7-8-21(23(10-16)32-12-17-9-18(17)13-32)31(3)26(35)25-19(27)5-4-6-20(25)28/h4-8,10-11,14-15,17-18H,9,12-13H2,1-3H3,(H,29,30,34)/i3D3
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n/an/a 4.90n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105988
PNG
(CHEMBL3598056)
Show SMILES CCC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(c2)N2CC3CC3C2)n(n1)C(C)C
Show InChI InChI=1S/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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n/an/a 4.90n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105990
PNG
(CHEMBL3598057)
Show SMILES CC(C)n1nc(NC(=O)C2CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/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/a 5n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106002
PNG
(CHEMBL3598070)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1
Show InChI InChI=1S/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/a 5.10n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106003
PNG
(CHEMBL3598071)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCC1
Show InChI InChI=1S/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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n/an/a 5.20n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105995
PNG
(CHEMBL3598063)
Show SMILES CNC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(c2)N2CC3CC3C2)n(n1)C(C)C
Show InChI InChI=1S/C27H30ClFN6O2/c1-15(2)35-22(12-24(32-35)31-27(37)30-3)16-8-9-21(23(11-16)34-13-17-10-18(17)14-34)33(4)26(36)25-19(28)6-5-7-20(25)29/h5-9,11-12,15,17-18H,10,13-14H2,1-4H3,(H2,30,31,32,37)/i4D3
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n/an/a 6n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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/a 6.20n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106007
PNG
(CHEMBL3598074)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC1CC1
Show InChI InChI=1S/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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n/an/a 6.40n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106008
PNG
(CHEMBL3598075)
Show SMILES CC(C1CC1)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C29H31ClFN5O2/c1-16(18-7-8-18)36-25(13-27(33-36)32-17(2)37)19-9-10-24(26(12-19)35-14-20-11-21(20)15-35)34(3)29(38)28-22(30)5-4-6-23(28)31/h4-6,9-10,12-13,16,18,20-21H,7-8,11,14-15H2,1-3H3,(H,32,33,37)/i3D3
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n/an/a 8.40n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105929
PNG
(CHEMBL3598048)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCC1
Show InChI InChI=1S/C26H29ClFN5O2/c1-16(2)33-22(15-24(30-33)29-17(3)34)18-10-11-21(23(14-18)32-12-5-6-13-32)31(4)26(35)25-19(27)8-7-9-20(25)28/h7-11,14-16H,5-6,12-13H2,1-4H3,(H,29,30,34)/i4D3
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n/an/a 8.60n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105984
PNG
(CHEMBL3598054)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C26H28ClFN6O2/c1-14(2)34-21(10-23(31-34)30-15(3)35)16-9-22(33-12-17-8-18(17)13-33)25(29-11-16)32(4)26(36)24-19(27)6-5-7-20(24)28/h5-7,9-11,14,17-18H,8,12-13H2,1-4H3,(H,30,31,35)/i4D3
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n/an/a 9.20n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105998
PNG
(CHEMBL3598065)
Show SMILES CC(C)n1nc(NC(=O)N2CC(O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C29H32ClFN6O3/c1-16(2)37-24(11-26(33-37)32-29(40)36-14-20(38)15-36)17-7-8-23(25(10-17)35-12-18-9-19(18)13-35)34(3)28(39)27-21(30)5-4-6-22(27)31/h4-8,10-11,16,18-20,38H,9,12-15H2,1-3H3,(H,32,33,40)/i3D3
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n/an/a 9.40n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50161155
PNG
(CHEMBL3793229)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50105991
PNG
(CHEMBL3598060)
Show SMILES CC(C)n1nc(NC(=O)[C@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/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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n/an/a 12n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105932
PNG
(CHEMBL3598050)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1-c1ccccc1)-c1cc(NC(C)=O)nn1C(C)C
Show InChI InChI=1S/C28H26ClFN4O2/c1-17(2)34-25(16-26(32-34)31-18(3)35)20-13-14-24(21(15-20)19-9-6-5-7-10-19)33(4)28(36)27-22(29)11-8-12-23(27)30/h5-17H,1-4H3,(H,31,32,35)/i4D3
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n/an/a 15n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106004
PNG
(CHEMBL3598072)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC(C)(C)C
Show InChI InChI=1S/C29H33ClFN5O2/c1-17(37)32-26-13-24(36(33-26)16-29(2,3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,19-20H,11,14-16H2,1-5H3,(H,32,33,37)/i5D3
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n/an/a 15n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105997
PNG
(CHEMBL3598064)
Show SMILES CC(C)n1nc(NC(=O)N2CC3(COC3)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C31H34ClFN6O3/c1-18(2)39-25(11-27(35-39)34-30(41)38-14-31(15-38)16-42-17-31)19-7-8-24(26(10-19)37-12-20-9-21(20)13-37)36(3)29(40)28-22(32)5-4-6-23(28)33/h4-8,10-11,18,20-21H,9,12-17H2,1-3H3,(H,34,35,41)/i3D3
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n/an/a 16n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106000
PNG
(CHEMBL3598066)
Show SMILES CC(C)n1nc(NC(=O)NCCO)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C28H32ClFN6O3/c1-16(2)36-23(13-25(33-36)32-28(39)31-9-10-37)17-7-8-22(24(12-17)35-14-18-11-19(18)15-35)34(3)27(38)26-20(29)5-4-6-21(26)30/h4-8,12-13,16,18-19,37H,9-11,14-15H2,1-3H3,(H2,31,32,33,39)/i3D3
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n/an/a 18n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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/a 18n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106001
PNG
(CHEMBL3598068)
Show SMILES CC(C)OC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(c2)N2CC3CC3C2)n(n1)C(C)C
Show InChI InChI=1S/C29H33ClFN5O3/c1-16(2)36-24(13-26(33-36)32-29(38)39-17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(37)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,38)/i5D3
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n/an/a 21n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105924
PNG
(CHEMBL3598043)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(11-21(31-33)30-14(3)34)15-8-9-18(20(10-15)36-12-24(27,28)29)32(4)23(35)22-16(25)6-5-7-17(22)26/h5-11,13H,12H2,1-4H3,(H,30,31,34)/i4D3
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n/an/a 26n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105919
PNG
(CHEMBL3596632)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)/i1D3
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n/an/a 29n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
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/a 38n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50106005
PNG
(CHEMBL3598073)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1COC1
Show InChI InChI=1S/C27H27ClFN5O3/c1-15(35)30-25-10-23(34(31-25)19-13-37-14-19)16-6-7-22(24(9-16)33-11-17-8-18(17)12-33)32(2)27(36)26-20(28)4-3-5-21(26)29/h3-7,9-10,17-19H,8,11-14H2,1-2H3,(H,30,31,35)/i2D3
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n/an/a 40n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105927
PNG
(CHEMBL3598046)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OC2CC3CC3C2)c1
Show InChI InChI=1S/C28H30ClFN4O3/c1-15(2)34-24(14-26(32-34)31-16(3)35)17-8-9-23(25(13-17)37-20-11-18-10-19(18)12-20)33(4)28(36)27-21(29)6-5-7-22(27)30/h5-9,13-15,18-20H,10-12H2,1-4H3,(H,31,32,35)/i4D3
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n/an/a 54n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50161156
PNG
(CHEMBL3793914)
Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1cccs1
Show InChI InChI=1S/C20H20ClN3S/c1-24-9-8-12-10-14(21)18-19(23-20(25)22-18)16(12)17-13-5-3-2-4-11(13)6-7-15(17)24/h2-5,10,15,17H,6-9H2,1H3,(H2,22,23,25)/t15-,17-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50105993
PNG
(CHEMBL3598062)
Show SMILES CC(C)n1nc(NC(=O)CN(C)C)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C29H34ClFN6O2/c1-17(2)37-24(13-26(33-37)32-27(38)16-34(3)4)18-9-10-23(25(12-18)36-14-19-11-20(19)15-36)35(5)29(39)28-21(30)7-6-8-22(28)31/h6-10,12-13,17,19-20H,11,14-16H2,1-5H3,(H,32,33,38)/i5D3
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n/an/a 70n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50161145
PNG
(CHEMBL3793667)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11ClF9NO3S/c18-11-2-1-3-13(8-11)32(30,31)28(9-14(19,20)21)12-6-4-10(5-7-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/a 72n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50161154
PNG
(CHEMBL3793036)
Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19ClN2OS/c1-23-9-8-12-10-14(21)18-19(25-20(24)22-18)16(12)17-13-5-3-2-4-11(13)6-7-15(17)23/h2-5,10,15,17H,6-9H2,1H3,(H,22,24)/t15-,17-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50105926
PNG
(CHEMBL3598045)
Show SMILES CC(C)COc1cc(ccc1N(C)C(=O)c1c(F)cccc1Cl)-c1cc(NC(C)=O)nn1C(C)C
Show InChI InChI=1S/C26H30ClFN4O3/c1-15(2)14-35-23-12-18(22-13-24(29-17(5)33)30-32(22)16(3)4)10-11-21(23)31(6)26(34)25-19(27)8-7-9-20(25)28/h7-13,15-16H,14H2,1-6H3,(H,29,30,33)/i6D3
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n/an/a 76n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50161157
PNG
(CHEMBL3792836)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1cccs1
Show InChI InChI=1S/C17H16ClN3/c18-15-8-12-6-7-19-9-13(11-4-2-1-3-5-11)16(12)14-10-20-21-17(14)15/h1-5,8,10,13,19H,6-7,9H2,(H,20,21)/t13-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 204n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50161110
PNG
(CHEMBL3792639)
Show SMILES Cc1cc(O)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12
Show InChI InChI=1S/C24H21F3N2O3S/c1-16-14-19(30)10-11-20(16)17-6-8-18(9-7-17)29(15-24(25,26)27)33(31,32)23-5-3-4-22-21(23)12-13-28(22)2/h3-14,30H,15H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50108881
PNG
(CHEMBL3596591)
Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)
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n/an/a 220n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50105920
PNG
(CHEMBL3598040)
Show SMILES CC(C)n1nc(cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1)C(N)=O
Show InChI InChI=1S/C23H21ClF4N4O3/c1-12(2)32-18(10-16(30-32)21(29)33)13-7-8-17(19(9-13)35-11-23(26,27)28)31(3)22(34)20-14(24)5-4-6-15(20)25/h4-10,12H,11H2,1-3H3,(H2,29,33)/i3D3
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n/an/a 240n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50161109
PNG
(CHEMBL3793855)
Show SMILES Cc1cc(O)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H17ClF3NO3S/c1-14-11-18(27)9-10-20(14)15-5-7-17(8-6-15)26(13-21(23,24)25)30(28,29)19-4-2-3-16(22)12-19/h2-12,27H,13H2,1H3
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n/an/a 520n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50161107
PNG
(CHEMBL3793430)
Show SMILES Cc1cc2nccn2cc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H17ClF3N3O2S/c1-15-11-21-27-9-10-28(21)13-20(15)16-5-7-18(8-6-16)29(14-22(24,25)26)32(30,31)19-4-2-3-17(23)12-19/h2-13H,14H2,1H3
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n/an/a 520n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50105921
PNG
(CHEMBL3596216)
Show SMILES CC(C)c1nn(C)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C23H22ClF4N3O2/c1-13(2)21-15(11-30(3)29-21)14-8-9-18(19(10-14)33-12-23(26,27)28)31(4)22(32)20-16(24)6-5-7-17(20)25/h5-11,13H,12H2,1-4H3/i4D3
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n/an/a 530n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50105923
PNG
(CHEMBL3598042)
Show SMILES CC(C)n1nc(CC(N)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(10-15(31-33)11-21(30)34)14-7-8-18(20(9-14)36-12-24(27,28)29)32(3)23(35)22-16(25)5-4-6-17(22)26/h4-10,13H,11-12H2,1-3H3,(H2,30,34)/i3D3
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n/an/a 610n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


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))
BDBM50161106
PNG
(CHEMBL3792498)
Show SMILES Cc1cc(CO)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12
Show InChI InChI=1S/C25H23F3N2O3S/c1-17-14-18(15-31)6-11-21(17)19-7-9-20(10-8-19)30(16-25(26,27)28)34(32,33)24-5-3-4-23-22(24)12-13-29(23)2/h3-14,31H,15-16H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50108880
PNG
(CHEMBL3596640)
Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C24H19ClF3N3O3S/c1-30-12-11-18-21(30)3-2-4-22(18)35(33,34)31(14-24(26,27)28)17-8-5-15(6-9-17)19-13-16(23(29)32)7-10-20(19)25/h2-13H,14H2,1H3,(H2,29,32)
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n/an/a 710n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50161104
PNG
(CHEMBL3792627)
Show SMILES Cc1cc(ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12)C1(CC1)C(O)=O
Show InChI InChI=1S/C28H25F3N2O4S/c1-18-16-20(27(13-14-27)26(34)35)8-11-22(18)19-6-9-21(10-7-19)33(17-28(29,30)31)38(36,37)25-5-3-4-24-23(25)12-15-32(24)2/h3-12,15-16H,13-14,17H2,1-2H3,(H,34,35)
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n/an/a 910n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50161158
PNG
(CHEMBL1475054)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)Nc1ccc2N(CCCc2c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H18ClN3/c1-22-8-7-13-9-16(19)18-14(10-20-21-18)17(13)15(11-22)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11H2,1H3,(H,20,21)/t15-/m1/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...


Bioorg Med Chem Lett 26: 2459-63 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.109
BindingDB Entry DOI: 10.7270/Q2QC05DC
More data for this
Ligand-Target Pair
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