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PubMed code 25815138

Compile data set for download or QSAR
Found 58 hits of Enzyme Inhibition Constant Data   
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))
BDBM50090104
PNG
(CHEMBL3581543 | US9216988, 97)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1
Show InChI InChI=1S/C20H21ClFNO2/c21-17-5-3-16(4-6-17)20(25)10-13-23(14-11-20)12-9-19(24)15-1-7-18(22)8-2-15/h1-8,25H,9-14H2
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
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/a 9n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
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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n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
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/a 17n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090175
PNG
(CHEMBL3581554 | US9216988, 17)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C27H36FN3O3S/c1-20(32)29-14-16-30(17-15-29)24-11-8-21(26(28)18-24)19-31(23-6-5-7-23)35(33,34)25-12-9-22(10-13-25)27(2,3)4/h8-13,18,23H,5-7,14-17,19H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090093
PNG
(CHEMBL3581540 | US9216988, 18)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cccc(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H27ClFN3O3S/c1-17(29)26-10-12-27(13-11-26)21-9-8-18(23(25)15-21)16-28(20-5-3-6-20)32(30,31)22-7-2-4-19(24)14-22/h2,4,7-9,14-15,20H,3,5-6,10-13,16H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090124
PNG
(CHEMBL3581547)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(C)cc2C)c(F)c1
Show InChI InChI=1S/C25H32FN3O3S/c1-18-7-10-25(19(2)15-18)33(31,32)29(22-5-4-6-22)17-21-8-9-23(16-24(21)26)28-13-11-27(12-14-28)20(3)30/h7-10,15-16,22H,4-6,11-14,17H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090121
PNG
(CHEMBL3581544 | US9216988, 80)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(F)c1
Show InChI InChI=1S/C24H28Cl2FN3O3S/c1-17(31)28-7-9-29(10-8-28)23-6-5-19(24(27)14-23)15-30(22-3-2-4-22)34(32,33)16-18-11-20(25)13-21(26)12-18/h5-6,11-14,22H,2-4,7-10,15-16H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090128
PNG
(CHEMBL3581551)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(OC(F)F)cc2)c(F)c1
Show InChI InChI=1S/C24H28F3N3O4S/c1-17(31)28-11-13-29(14-12-28)20-6-5-18(23(25)15-20)16-30(19-3-2-4-19)35(32,33)22-9-7-21(8-10-22)34-24(26)27/h5-10,15,19,24H,2-4,11-14,16H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090123
PNG
(CHEMBL3581546 | US9216988, 29)
Show SMILES COc1cccc(c1)S(=O)(=O)N(Cc1ccc(cc1F)N1CCN(CC1)C(C)=O)C1CCC1
Show InChI InChI=1S/C24H30FN3O4S/c1-18(29)26-11-13-27(14-12-26)21-10-9-19(24(25)15-21)17-28(20-5-3-6-20)33(30,31)23-8-4-7-22(16-23)32-2/h4,7-10,15-16,20H,3,5-6,11-14,17H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090096
PNG
(CHEMBL3580673 | US9216988, 86)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C29H33N5O3/c30-27(31)32-9-7-15-3-5-20-18(11-15)19-13-29(36)22-12-17-4-6-21(35)25-23(17)28(29,26(37-25)24(19)33-20)8-10-34(22)14-16-1-2-16/h3-6,11,16,22,26,33,35-36H,1-2,7-10,12-14H2,(H4,30,31,32)/t22?,26-,28-,29+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090122
PNG
(CHEMBL3581545 | US9216988, 116)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cc(F)cc(F)c2)c(F)c1
Show InChI InChI=1S/C23H26F3N3O3S/c1-16(30)27-7-9-28(10-8-27)21-6-5-17(23(26)14-21)15-29(20-3-2-4-20)33(31,32)22-12-18(24)11-19(25)13-22/h5-6,11-14,20H,2-4,7-10,15H2,1H3
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n/an/a 49n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090174
PNG
(CHEMBL3581553 | US9216988, 117)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H27F4N3O3S/c1-17(32)29-11-13-30(14-12-29)21-8-5-18(23(25)15-21)16-31(20-3-2-4-20)35(33,34)22-9-6-19(7-10-22)24(26,27)28/h5-10,15,20H,2-4,11-14,16H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090091
PNG
(CHEMBL3581538 | US9216988, 34)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C23H27ClFN3O3S/c1-17(29)26-11-13-27(14-12-26)20-10-9-18(22(25)15-20)16-28(19-5-4-6-19)32(30,31)23-8-3-2-7-21(23)24/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090087
PNG
(CHEMBL3581534 | US9216988, 35)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cccc(F)c2)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3S/c1-17(29)26-10-12-27(13-11-26)21-9-8-18(23(25)15-21)16-28(20-5-3-6-20)32(30,31)22-7-2-4-19(24)14-22/h2,4,7-9,14-15,20H,3,5-6,10-13,16H2,1H3
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n/an/a 65n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090127
PNG
(CHEMBL3581550 | US9216988, 38)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)cc2Cl)c(F)c1
Show InChI InChI=1S/C23H26Cl2FN3O3S/c1-16(30)27-9-11-28(12-10-27)20-7-5-17(22(26)14-20)15-29(19-3-2-4-19)33(31,32)23-8-6-18(24)13-21(23)25/h5-8,13-14,19H,2-4,9-12,15H2,1H3
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n/an/a 76n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090085
PNG
(CHEMBL3581532 | US9216988, 37)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3S/c1-17(29)26-11-13-27(14-12-26)20-10-9-18(22(25)15-20)16-28(19-5-4-6-19)32(30,31)23-8-3-2-7-21(23)24/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3
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n/an/a 76n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090095
PNG
(CHEMBL3581542 | US9216988, 124)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21?,25-,27-,28+/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090084
PNG
(CHEMBL3581531 | US9216988, 44)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)CCc2ccccc2)c(F)c1
Show InChI InChI=1S/C25H32FN3O3S/c1-20(30)27-13-15-28(16-14-27)24-11-10-22(25(26)18-24)19-29(23-8-5-9-23)33(31,32)17-12-21-6-3-2-4-7-21/h2-4,6-7,10-11,18,23H,5,8-9,12-17,19H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090126
PNG
(CHEMBL3581549 | US9216988, 45)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1F)N1CCN(CC1)C(C)=O)C1CCC1
Show InChI InChI=1S/C24H30FN3O4S/c1-18(29)26-12-14-27(15-13-26)21-7-6-19(24(25)16-21)17-28(20-4-3-5-20)33(30,31)23-10-8-22(32-2)9-11-23/h6-11,16,20H,3-5,12-15,17H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090089
PNG
(CHEMBL3581536 | US9216988, 134)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3S/c1-17(29)26-11-13-27(14-12-26)21-8-5-18(23(25)15-21)16-28(20-3-2-4-20)32(30,31)22-9-6-19(24)7-10-22/h5-10,15,20H,2-4,11-14,16H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090082
PNG
(CHEMBL3581529 | US9216988, 135)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C23H28FN3O3S/c1-18(28)25-12-14-26(15-13-25)21-11-10-19(23(24)16-21)17-27(20-6-5-7-20)31(29,30)22-8-3-2-4-9-22/h2-4,8-11,16,20H,5-7,12-15,17H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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


(Homo sapiens (Human))
BDBM50090125
PNG
(CHEMBL3581548 | US9216988, 68)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C24H27FN4O3S/c1-18(30)27-10-12-28(13-11-27)22-9-8-20(24(25)15-22)17-29(21-5-3-6-21)33(31,32)23-7-2-4-19(14-23)16-26/h2,4,7-9,14-15,21H,3,5-6,10-13,17H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090129
PNG
(CHEMBL3581552 | US9216988, 67)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1
Show InChI InChI=1S/C24H27F4N3O4S/c1-17(32)29-11-13-30(14-12-29)20-6-5-18(23(25)15-20)16-31(19-3-2-4-19)36(33,34)22-9-7-21(8-10-22)35-24(26,27)28/h5-10,15,19H,2-4,11-14,16H2,1H3
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n/an/a 290n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


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))
BDBM50090124
PNG
(CHEMBL3581547)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(C)cc2C)c(F)c1
Show InChI InChI=1S/C25H32FN3O3S/c1-18-7-10-25(19(2)15-18)33(31,32)29(22-5-4-6-22)17-21-8-9-23(16-24(21)26)28-13-11-27(12-14-28)20(3)30/h7-10,15-16,22H,4-6,11-14,17H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


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


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
Bile acid receptor


(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
PDB
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n/an/an/an/a 6.10E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...


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



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


(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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n/an/an/an/a 3n/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


(Homo sapiens (Human))
BDBM50090096
PNG
(CHEMBL3580673 | US9216988, 86)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C29H33N5O3/c30-27(31)32-9-7-15-3-5-20-18(11-15)19-13-29(36)22-12-17-4-6-21(35)25-23(17)28(29,26(37-25)24(19)33-20)8-10-34(22)14-16-1-2-16/h3-6,11,16,22,26,33,35-36H,1-2,7-10,12-14H2,(H4,30,31,32)/t22?,26-,28-,29+/m0/s1
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n/an/an/an/a 33n/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


(Homo sapiens (Human))
BDBM50090128
PNG
(CHEMBL3581551)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(OC(F)F)cc2)c(F)c1
Show InChI InChI=1S/C24H28F3N3O4S/c1-17(31)28-11-13-29(14-12-28)20-6-5-18(23(25)15-20)16-30(19-3-2-4-19)35(32,33)22-9-7-21(8-10-22)34-24(26)27/h5-10,15,19,24H,2-4,11-14,16H2,1H3
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n/an/an/an/a 150n/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


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


(Homo sapiens (Human))
BDBM50090084
PNG
(CHEMBL3581531 | US9216988, 44)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)CCc2ccccc2)c(F)c1
Show InChI InChI=1S/C25H32FN3O3S/c1-20(30)27-13-15-28(16-14-27)24-11-10-22(25(26)18-24)19-29(23-8-5-9-23)33(31,32)17-12-21-6-3-2-4-7-21/h2-4,6-7,10-11,18,23H,5,8-9,12-17,19H2,1H3
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n/an/an/an/a 310n/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


(Homo sapiens (Human))
BDBM50090125
PNG
(CHEMBL3581548 | US9216988, 68)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C24H27FN4O3S/c1-18(30)27-10-12-28(13-11-27)22-9-8-20(24(25)15-22)17-29(21-5-3-6-21)33(31,32)23-7-2-4-19(14-23)16-26/h2,4,7-9,14-15,21H,3,5-6,10-13,17H2,1H3
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n/an/an/an/a>1.00E+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


(Homo sapiens (Human))
BDBM50090175
PNG
(CHEMBL3581554 | US9216988, 17)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(cc2)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C27H36FN3O3S/c1-20(32)29-14-16-30(17-15-29)24-11-8-21(26(28)18-24)19-31(23-6-5-7-23)35(33,34)25-12-9-22(10-13-25)27(2,3)4/h8-13,18,23H,5-7,14-17,19H2,1-4H3
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n/an/an/an/a 120n/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


(Homo sapiens (Human))
BDBM50090082
PNG
(CHEMBL3581529 | US9216988, 135)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C23H28FN3O3S/c1-18(28)25-12-14-26(15-13-25)21-11-10-19(23(24)16-21)17-27(20-6-5-7-20)31(29,30)22-8-3-2-4-9-22/h2-4,8-11,16,20H,5-7,12-15,17H2,1H3
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n/an/an/an/a 69n/an/an/an/a



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


(Homo sapiens (Human))
BDBM50090129
PNG
(CHEMBL3581552 | US9216988, 67)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1
Show InChI InChI=1S/C24H27F4N3O4S/c1-17(32)29-11-13-30(14-12-29)20-6-5-18(23(25)15-20)16-31(19-3-2-4-19)36(33,34)22-9-7-21(8-10-22)35-24(26,27)28/h5-10,15,19H,2-4,11-14,16H2,1H3
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n/an/an/an/a 160n/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


(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


(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
Oxysterols receptor LXR-alpha


(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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n/an/an/an/a 9.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...


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))
BDBM50090089
PNG
(CHEMBL3581536 | US9216988, 134)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3S/c1-17(29)26-11-13-27(14-12-26)21-8-5-18(23(25)15-21)16-28(20-3-2-4-20)32(30,31)22-9-6-19(24)7-10-22/h5-10,15,20H,2-4,11-14,16H2,1H3
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n/an/an/an/a>1.00E+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


(Homo sapiens (Human))
BDBM50090123
PNG
(CHEMBL3581546 | US9216988, 29)
Show SMILES COc1cccc(c1)S(=O)(=O)N(Cc1ccc(cc1F)N1CCN(CC1)C(C)=O)C1CCC1
Show InChI InChI=1S/C24H30FN3O4S/c1-18(29)26-11-13-27(14-12-26)21-10-9-19(24(25)15-21)17-28(20-5-3-6-20)33(30,31)23-8-4-7-22(16-23)32-2/h4,7-10,15-16,20H,3,5-6,11-14,17H2,1-2H3
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n/an/an/an/a 26n/an/an/an/a



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


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


(Homo sapiens (Human))
BDBM50090095
PNG
(CHEMBL3581542 | US9216988, 124)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C28H31N5O3/c29-26(30)31-12-15-3-5-19-17(9-15)18-11-28(35)21-10-16-4-6-20(34)24-22(16)27(28,25(36-24)23(18)32-19)7-8-33(21)13-14-1-2-14/h3-6,9,14,21,25,32,34-35H,1-2,7-8,10-13H2,(H4,29,30,31)/t21?,25-,27-,28+/m0/s1
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n/an/an/an/a 190n/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


(Homo sapiens (Human))
BDBM50090121
PNG
(CHEMBL3581544 | US9216988, 80)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(F)c1
Show InChI InChI=1S/C24H28Cl2FN3O3S/c1-17(31)28-7-9-29(10-8-28)23-6-5-19(24(27)14-23)15-30(22-3-2-4-22)34(32,33)16-18-11-20(25)13-21(26)12-18/h5-6,11-14,22H,2-4,7-10,15-16H2,1H3
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n/an/an/an/a 40n/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


(Homo sapiens (Human))
BDBM50090127
PNG
(CHEMBL3581550 | US9216988, 38)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)cc2Cl)c(F)c1
Show InChI InChI=1S/C23H26Cl2FN3O3S/c1-16(30)27-9-11-28(12-10-27)20-7-5-17(22(26)14-20)15-29(19-3-2-4-19)33(31,32)23-8-6-18(24)13-21(23)25/h5-8,13-14,19H,2-4,9-12,15H2,1H3
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n/an/an/an/a 220n/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


(Homo sapiens (Human))
BDBM50090093
PNG
(CHEMBL3581540 | US9216988, 18)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cccc(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H27ClFN3O3S/c1-17(29)26-10-12-27(13-11-26)21-9-8-18(23(25)15-21)16-28(20-5-3-6-20)32(30,31)22-7-2-4-19(24)14-22/h2,4,7-9,14-15,20H,3,5-6,10-13,16H2,1H3
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n/an/an/an/a 50n/an/an/an/a



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


(Homo sapiens (Human))
BDBM50090174
PNG
(CHEMBL3581553 | US9216988, 117)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H27F4N3O3S/c1-17(32)29-11-13-30(14-12-29)21-8-5-18(23(25)15-21)16-31(20-3-2-4-20)35(33,34)22-9-6-19(7-10-22)24(26,27)28/h5-10,15,20H,2-4,11-14,16H2,1H3
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n/an/an/an/a 300n/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


(Homo sapiens (Human))
BDBM50090126
PNG
(CHEMBL3581549 | US9216988, 45)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1F)N1CCN(CC1)C(C)=O)C1CCC1
Show InChI InChI=1S/C24H30FN3O4S/c1-18(29)26-12-14-27(15-13-26)21-7-6-19(24(25)16-21)17-28(20-4-3-5-20)33(30,31)23-10-8-22(32-2)9-11-23/h6-11,16,20H,3-5,12-15,17H2,1-2H3
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n/an/an/an/a 3.30E+3n/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


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


(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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n/an/an/an/a 15n/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...


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-beta


(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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n/an/an/an/a 2.70E+3n/an/an/an/a



Genentech

Curated by ChEMBL


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


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))
BDBM50090085
PNG
(CHEMBL3581532 | US9216988, 37)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3S/c1-17(29)26-11-13-27(14-12-26)20-10-9-18(22(25)15-20)16-28(19-5-4-6-19)32(30,31)23-8-3-2-7-21(23)24/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3
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n/an/an/an/a 63n/an/an/an/a



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


(Homo sapiens (Human))
BDBM50090087
PNG
(CHEMBL3581534 | US9216988, 35)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cccc(F)c2)c(F)c1
Show InChI InChI=1S/C23H27F2N3O3S/c1-17(29)26-10-12-27(13-11-26)21-9-8-18(23(25)15-21)16-28(20-5-3-6-20)32(30,31)22-7-2-4-19(24)14-22/h2,4,7-9,14-15,20H,3,5-6,10-13,16H2,1H3
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n/an/an/an/a 41n/an/an/an/a



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


(Homo sapiens (Human))
BDBM50090091
PNG
(CHEMBL3581538 | US9216988, 34)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccccc2Cl)c(F)c1
Show InChI InChI=1S/C23H27ClFN3O3S/c1-17(29)26-11-13-27(14-12-26)20-10-9-18(22(25)15-20)16-28(19-5-4-6-19)32(30,31)23-8-3-2-7-21(23)24/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3
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PubMed
n/an/an/an/a 47n/an/an/an/a



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


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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 6n/an/an/an/a



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
* indicates data uncertainty>20%