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Compile Data Set for Download or QSAR

Found 154 hits Enz. Inhib. hit(s) with all data for entry = 50007777   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364370
PNG
(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-16-4-2-5-17(24)19(16)21(27)15-11-26(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
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n/an/a 1n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512498
PNG
(CHEMBL4570491)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-15-5-3-6-16(24)20(15)21(27)14-11-26(18-7-2-1-4-13(14)18)19-9-8-12(22(28)29)10-17(19)25/h1-11H,(H,28,29)
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n/an/a 1.10n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512490
PNG
(CHEMBL4454027)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13Cl2NO3/c23-17-5-3-6-18(24)20(17)21(26)16-12-25(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(27)28/h1-12H,(H,27,28)
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n/an/a 1.60n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512497
PNG
(CHEMBL4567440)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H12ClF4NO3/c24-17-5-2-4-16(23(26,27)28)19(17)21(30)15-11-29(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50203542
PNG
(CHEMBL3218921)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)
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n/an/a 2n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512504
PNG
(CHEMBL4540580)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)21(27)28/h1-11H,(H,27,28)
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n/an/a 3.80n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364371
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-1 H-ind...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-4-2-5-15(24)19(14)21(28)13-10-27(20-12(13)3-1-6-16(20)25)18-8-7-11(22(29)30)9-17(18)26/h1-10H,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512525
PNG
(CHEMBL4454020)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13Cl2NO4/c23-16-5-3-6-17(24)20(16)21(27)15-11-25(18-7-2-1-4-13(15)18)12-8-9-14(22(28)29)19(26)10-12/h1-11,26H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512506
PNG
(CHEMBL4551954)
Show SMILES Cc1cccc2c(cn(-c3ccc(cc3F)C(O)=O)c12)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H15ClFNO3/c1-13-5-4-7-15-17(22(27)16-6-2-3-8-18(16)24)12-26(21(13)15)20-10-9-14(23(28)29)11-19(20)25/h2-12H,1H3,(H,28,29)
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n/an/a 8.10n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512497
PNG
(CHEMBL4567440)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H12ClF4NO3/c24-17-5-2-4-16(23(26,27)28)19(17)21(30)15-11-29(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
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n/an/a 10n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512510
PNG
(CHEMBL4561072)
Show SMILES OC(=O)c1cc(F)c(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12 |(10.56,-42.93,;9.05,-43.26,;8.01,-42.12,;8.59,-44.73,;9.62,-45.87,;9.16,-47.33,;10.19,-48.47,;7.65,-47.65,;6.62,-46.53,;5.11,-46.86,;7.08,-45.06,;7.18,-49.12,;8.1,-50.36,;7.2,-51.62,;7.68,-53.08,;6.66,-54.23,;9.19,-53.39,;10.2,-52.24,;9.71,-50.78,;11.7,-52.54,;12.2,-54.01,;11.17,-55.16,;9.66,-54.85,;8.64,-56,;5.73,-51.15,;4.39,-51.93,;3.05,-51.16,;3.05,-49.61,;4.38,-48.84,;5.72,-49.61,)|
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-5-3-6-15(24)19(14)21(28)13-10-27(18-7-2-1-4-12(13)18)20-16(25)8-11(22(29)30)9-17(20)26/h1-10H,(H,29,30)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512495
PNG
(CHEMBL4466120)
Show SMILES Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C23H15ClFNO3/c1-13-4-2-6-18(24)20(13)22(27)17-12-26(21-16(17)5-3-7-19(21)25)15-10-8-14(9-11-15)23(28)29/h2-12H,1H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364371
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-1 H-ind...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-4-2-5-15(24)19(14)21(28)13-10-27(20-12(13)3-1-6-16(20)25)18-8-7-11(22(29)30)9-17(18)26/h1-10H,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364370
PNG
(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-16-4-2-5-17(24)19(16)21(27)15-11-26(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512491
PNG
(CHEMBL4556521)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512502
PNG
(CHEMBL4577409)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12
Show InChI InChI=1S/C23H11ClF5NO3/c24-14-4-1-3-13(23(27,28)29)20(14)21(31)12-10-30(18-6-2-5-15(25)19(12)18)17-8-7-11(22(32)33)9-16(17)26/h1-10H,(H,32,33)
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n/an/a 16n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512500
PNG
(CHEMBL4475634)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13ClFNO3/c23-17-5-3-6-18(24)20(17)21(26)16-12-25(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(27)28/h1-12H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512493
PNG
(CHEMBL4471486)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccnc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-16-4-1-5-17(23)18(16)19(26)15-11-25(20-14(15)3-2-10-24-20)13-8-6-12(7-9-13)21(27)28/h1-11H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512498
PNG
(CHEMBL4570491)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-15-5-3-6-16(24)20(15)21(27)14-11-26(18-7-2-1-4-13(14)18)19-9-8-12(22(28)29)10-17(19)25/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50203542
PNG
(CHEMBL3218921)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512516
PNG
(CHEMBL4583641)
Show SMILES Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2F)C(O)=O)c2ccccc12
Show InChI InChI=1S/C23H15ClFNO3/c1-13-5-4-7-17(24)21(13)22(27)16-12-26(19-8-3-2-6-15(16)19)20-10-9-14(23(28)29)11-18(20)25/h2-12H,1H3,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512492
PNG
(CHEMBL4446695)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2c(F)cccc12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-15-3-1-4-16(24)20(15)21(27)14-11-26(18-6-2-5-17(25)19(14)18)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512499
PNG
(CHEMBL4476185)
Show SMILES Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C23H16ClNO3/c1-14-5-4-7-19(24)21(14)22(26)18-13-25(20-8-3-2-6-17(18)20)16-11-9-15(10-12-16)23(27)28/h2-13H,1H3,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM364370
PNG
(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-16-4-2-5-17(24)19(16)21(27)15-11-26(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse splenocytes derived naive T cells assessed as suppression of T cell differentiation to Th17 cells by m...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512488
PNG
(CHEMBL4592447)
Show SMILES Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2F)C(O)=O)c2ncccc12
Show InChI InChI=1S/C22H14ClFN2O3/c1-12-4-2-6-16(23)19(12)20(27)15-11-26(21-14(15)5-3-9-25-21)18-8-7-13(22(28)29)10-17(18)24/h2-11H,1H3,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512490
PNG
(CHEMBL4454027)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13Cl2NO3/c23-17-5-3-6-18(24)20(17)21(26)16-12-25(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(27)28/h1-12H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512504
PNG
(CHEMBL4540580)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)21(27)28/h1-11H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512501
PNG
(CHEMBL4438970)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccnc12
Show InChI InChI=1S/C21H11Cl2FN2O3/c22-14-4-1-5-15(23)18(14)19(27)13-10-26(20-12(13)3-2-8-25-20)17-7-6-11(21(28)29)9-16(17)24/h1-10H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512524
PNG
(CHEMBL4448238)
Show SMILES Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2F)C(O)=O)c2cccc(F)c12
Show InChI InChI=1S/C23H14ClF2NO3/c1-12-4-2-5-15(24)20(12)22(28)14-11-27(19-7-3-6-16(25)21(14)19)18-9-8-13(23(29)30)10-17(18)26/h2-11H,1H3,(H,29,30)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364364
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-7-fluor...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H13ClF3NO3/c24-18-6-3-5-17(23(25,26)27)20(18)21(29)16-12-28(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(30)31/h1-12H,(H,30,31)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512503
PNG
(CHEMBL4452714)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2c(F)cccc12
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-13-3-1-4-14(24)20(13)21(28)12-10-27(18-6-2-5-15(25)19(12)18)17-8-7-11(22(29)30)9-16(17)26/h1-10H,(H,29,30)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512489
PNG
(CHEMBL4577020)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12
Show InChI InChI=1S/C23H12ClF4NO3/c24-16-4-1-3-15(23(26,27)28)20(16)21(30)14-11-29(18-6-2-5-17(25)19(14)18)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50203542
PNG
(CHEMBL3218921)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse splenocytes derived naive T cells assessed as suppression of T cell differentiation to Th17 cells by m...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512518
PNG
(CHEMBL4519185)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C22H12ClF3N2O3/c23-17-5-1-4-16(22(24,25)26)18(17)19(29)15-11-28(20-14(15)3-2-10-27-20)13-8-6-12(7-9-13)21(30)31/h1-11H,(H,30,31)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Mus musculus)
BDBM50512490
PNG
(CHEMBL4454027)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13Cl2NO3/c23-17-5-3-6-18(24)20(17)21(26)16-12-25(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(27)28/h1-12H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORgammat in mouse splenocytes derived naive T cells assessed as suppression of T cell differentiation to Th17 cells by m...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512494
PNG
(CHEMBL4443719)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(Cl)c12
Show InChI InChI=1S/C22H12Cl3NO3/c23-16-4-2-5-17(24)19(16)21(27)15-11-26(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512509
PNG
(CHEMBL4588729)
Show SMILES OC(=O)c1ccc(c(F)c1F)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-5-3-6-15(24)18(14)21(28)13-10-27(16-7-2-1-4-11(13)16)17-9-8-12(22(29)30)19(25)20(17)26/h1-10H,(H,29,30)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512492
PNG
(CHEMBL4446695)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2c(F)cccc12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-15-3-1-4-16(24)20(15)21(27)14-11-26(18-6-2-5-17(25)19(14)18)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512517
PNG
(CHEMBL4558320)
Show SMILES Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2cccc(F)c12
Show InChI InChI=1S/C23H15ClFNO3/c1-13-4-2-5-17(24)20(13)22(27)16-12-26(19-7-3-6-18(25)21(16)19)15-10-8-14(9-11-15)23(28)29/h2-12H,1H3,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512493
PNG
(CHEMBL4471486)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccnc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-16-4-1-5-17(23)18(16)19(26)15-11-25(20-14(15)3-2-10-24-20)13-8-6-12(7-9-13)21(27)28/h1-11H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512513
PNG
(CHEMBL4462466)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cc(Cl)cc2Cl)c2ccccc12
Show InChI InChI=1S/C22H12Cl3NO3/c23-13-9-17(24)20(18(25)10-13)21(27)16-11-26(19-4-2-1-3-15(16)19)14-7-5-12(6-8-14)22(28)29/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50112367
PNG
(CHEMBL3609407)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(-3.74,3.7,;-2.67,3.08,;-2.67,1.54,;-3.73,.92,;-3.74,2.16,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;1.58,-8.32,;2.66,-6.16,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.98,-10.81,;9.05,-10.21,;7.97,-12.05,;9.04,-11.44,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C23H18Cl2F3NO4S/c1-2-34(31,32)16-9-7-14(8-10-16)11-21(30)29-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)33-23(26,27)28/h3-10,12-13H,2,11H2,1H3,(H,29,30)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512506
PNG
(CHEMBL4551954)
Show SMILES Cc1cccc2c(cn(-c3ccc(cc3F)C(O)=O)c12)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H15ClFNO3/c1-13-5-4-7-15-17(22(27)16-6-2-3-8-18(16)24)12-26(21(13)15)20-10-9-14(23(28)29)11-19(20)25/h2-12H,1H3,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512496
PNG
(CHEMBL4462212)
Show SMILES OC(=O)c1ccc(c(Cl)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H12Cl3NO3/c23-15-5-3-6-16(24)20(15)21(27)14-11-26(18-7-2-1-4-13(14)18)19-9-8-12(22(28)29)10-17(19)25/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512521
PNG
(CHEMBL4589255)
Show SMILES Cc1c(C(=O)c2c(Cl)cccc2Cl)c2ccccc2n1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H15Cl2NO3/c1-13-20(22(27)21-17(24)6-4-7-18(21)25)16-5-2-3-8-19(16)26(13)15-11-9-14(10-12-15)23(28)29/h2-12H,1H3,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512500
PNG
(CHEMBL4475634)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13ClFNO3/c23-17-5-3-6-18(24)20(17)21(26)16-12-25(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(27)28/h1-12H,(H,27,28)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512515
PNG
(CHEMBL4449363)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccc(F)cc12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-17-2-1-3-18(24)20(17)21(27)16-11-26(19-10-13(25)6-9-15(16)19)14-7-4-12(5-8-14)22(28)29/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512514
PNG
(CHEMBL4448074)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H14ClNO3/c23-19-7-3-1-6-17(19)21(25)18-13-24(20-8-4-2-5-16(18)20)15-11-9-14(10-12-15)22(26)27/h1-13H,(H,26,27)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512520
PNG
(CHEMBL4452586)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cc(F)cc2Cl)c2ccccc12
Show InChI InChI=1S/C22H12ClF2NO3/c23-17-9-13(24)10-18(25)20(17)21(27)16-11-26(19-4-2-1-3-15(16)19)14-7-5-12(6-8-14)22(28)29/h1-11H,(H,28,29)
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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512522
PNG
(CHEMBL4469881)
Show SMILES Cc1cc(ccc1-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H15Cl2NO3/c1-13-11-14(23(28)29)9-10-19(13)26-12-16(15-5-2-3-8-20(15)26)22(27)21-17(24)6-4-7-18(21)25/h2-12H,1H3,(H,28,29)
PDB

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Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
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