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Patent code US10385036

Compile Data Set for Download or QSAR
Found 35 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 (RORC)


(Homo sapiens (Human))
BDBM411418
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3ccccc3F)cc12
Show InChI InChI=1S/C29H36FN3O3S/c1-19-17-33(29(34)20(2)21-8-4-5-9-21)15-14-23(19)25-18-32(3)27-13-12-22(16-24(25)27)31-37(35,36)28-11-7-6-10-26(28)30/h6-7,10-13,16,18-21,23,31H,4-5,8-9,14-15,17H2,1-3H3/t19-,20+,23+/m0/s1
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US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411419
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3cc(C)ccc3F)cc12
Show InChI InChI=1S/C30H38FN3O3S/c1-19-9-11-27(31)29(15-19)38(36,37)32-23-10-12-28-25(16-23)26(18-33(28)4)24-13-14-34(17-20(24)2)30(35)21(3)22-7-5-6-8-22/h9-12,15-16,18,20-22,24,32H,5-8,13-14,17H2,1-4H3/t20-,21+,24+/m0/s1
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US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411412
PNG
((R)-2-fluoro-N-(1-methyl-3-(1-(2,3,3- trimethylbut...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccccc3F)cc12)C(C)(C)C
Show InChI InChI=1S/C27H34FN3O3S/c1-18(27(2,3)4)26(32)31-14-12-19(13-15-31)22-17-30(5)24-11-10-20(16-21(22)24)29-35(33,34)25-9-7-6-8-23(25)28/h6-11,16-19,29H,12-15H2,1-5H3/t18-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411417
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES CCOc1ccccc1S(=O)(=O)Nc1ccc2n(C)cc([C@@H]3CCN(C[C@@H]3C)C(=O)[C@H](C)C3CCCC3)c2c1
Show InChI InChI=1S/C31H41N3O4S/c1-5-38-29-12-8-9-13-30(29)39(36,37)32-24-14-15-28-26(18-24)27(20-33(28)4)25-16-17-34(19-21(25)2)31(35)22(3)23-10-6-7-11-23/h8-9,12-15,18,20-23,25,32H,5-7,10-11,16-17,19H2,1-4H3/t21-,22+,25+/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411410
PNG
((R)-1,3,5-trimethyl-N-(1-methyl-3-(1-(2,3,3- trime...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc12)C(C)(C)C
Show InChI InChI=1S/C27H39N5O3S/c1-17(27(4,5)6)26(33)32-13-11-20(12-14-32)23-16-30(7)24-10-9-21(15-22(23)24)29-36(34,35)25-18(2)28-31(8)19(25)3/h9-10,15-17,20,29H,11-14H2,1-8H3/t17-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411411
PNG
((R)-2-ethoxy-N-(1-methyl-3-(1-(2,3,3- trimethylbut...)
Show SMILES CCOc1ccccc1S(=O)(=O)Nc1ccc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1
Show InChI InChI=1S/C29H39N3O4S/c1-7-36-26-10-8-9-11-27(26)37(34,35)30-22-12-13-25-23(18-22)24(19-31(25)6)21-14-16-32(17-15-21)28(33)20(2)29(3,4)5/h8-13,18-21,30H,7,14-17H2,1-6H3/t20-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411409
PNG
((R)-4-methyl-N-(1-methyl-3-(1-(2,3,3- trimethylbut...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12)C(C)(C)C
Show InChI InChI=1S/C28H37N3O3S/c1-19-7-10-23(11-8-19)35(33,34)29-22-9-12-26-24(17-22)25(18-30(26)6)21-13-15-31(16-14-21)27(32)20(2)28(3,4)5/h7-12,17-18,20-21,29H,13-16H2,1-6H3/t20-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411415
PNG
((R)-N-(3-(1-(2-(bicyclo[1.1.1]pentan-1- yl)propano...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12)C12CC(C1)C2
Show InChI InChI=1S/C28H32FN3O3S/c1-18(28-14-19(15-28)16-28)27(33)32-11-9-20(10-12-32)25-17-31(2)26-8-5-22(13-24(25)26)30-36(34,35)23-6-3-21(29)4-7-23/h3-8,13,17-20,30H,9-12,14-16H2,1-2H3/t18-,19?,28?/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411416
PNG
(N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc12
Show InChI InChI=1S/C29H41N5O3S/c1-18-16-34(29(35)19(2)22-9-7-8-10-22)14-13-24(18)26-17-32(5)27-12-11-23(15-25(26)27)31-38(36,37)28-20(3)30-33(6)21(28)4/h11-12,15,17-19,22,24,31H,7-10,13-14,16H2,1-6H3/t18-,19+,24+/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411400
PNG
((S)-N-(3-(1-(2,3-dimethylbutanoyl)pipendin-4-yl)-1...)
Show SMILES CC(C)[C@H](C)C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H32FN3O3S/c1-17(2)18(3)26(31)30-13-11-19(12-14-30)24-16-29(4)25-10-7-21(15-23(24)25)28-34(32,33)22-8-5-20(27)6-9-22/h5-10,15-19,28H,11-14H2,1-4H3/t18-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411403
PNG
((R)-N-(3-(1-(cyclopentanecarbonyl)-2,2-dimethylpip...)
Show SMILES Cn1cc([C@@H]2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C28H34FN3O3S/c1-28(2)17-20(14-15-32(28)27(33)19-6-4-5-7-19)25-18-31(3)26-13-10-22(16-24(25)26)30-36(34,35)23-11-8-21(29)9-12-23/h8-13,16,18-20,30H,4-7,14-15,17H2,1-3H3/t20-/m1/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411391
PNG
((R)-N-(3-(1-(2-cyclopentylpropanoyl)piperidin-4-yl...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C28H34FN3O3S/c1-19(20-5-3-4-6-20)28(33)32-15-13-21(14-16-32)26-18-31(2)27-12-9-23(17-25(26)27)30-36(34,35)24-10-7-22(29)8-11-24/h7-12,17-21,30H,3-6,13-16H2,1-2H3/t19-/m1/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411389
PNG
(4-fluoro-N-(3-((3R,4R)-1-isobutyryl-3- methylpiper...)
Show SMILES CC(C)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C25H30FN3O3S/c1-16(2)25(30)29-12-11-21(17(3)14-29)23-15-28(4)24-10-7-19(13-22(23)24)27-33(31,32)20-8-5-18(26)6-9-20/h5-10,13,15-17,21,27H,11-12,14H2,1-4H3/t17-,21+/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411387
PNG
(N-(3-((3R,4R)-1-(cyclopentanecarbonyl)-3- methylpi...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12)C(=O)C1CCCC1
Show InChI InChI=1S/C27H32FN3O3S/c1-18-16-31(27(32)19-5-3-4-6-19)14-13-23(18)25-17-30(2)26-12-9-21(15-24(25)26)29-35(33,34)22-10-7-20(28)8-11-22/h7-12,15,17-19,23,29H,3-6,13-14,16H2,1-2H3/t18-,23+/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411394
PNG
((R)-4-fiuoro-N-(1-methyl-3-(1-(2,3,3- trimethylbut...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12)C(C)(C)C
Show InChI InChI=1S/C27H34FN3O3S/c1-18(27(2,3)4)26(32)31-14-12-19(13-15-31)24-17-30(5)25-11-8-21(16-23(24)25)29-35(33,34)22-9-6-20(28)7-10-22/h6-11,16-19,29H,12-15H2,1-5H3/t18-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411398
PNG
(N-(3-(1-(cyclohexanecarbonyl)-piperidin-4-yl)-1- m...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C27H32FN3O3S/c1-30-18-25(19-13-15-31(16-14-19)27(32)20-5-3-2-4-6-20)24-17-22(9-12-26(24)30)29-35(33,34)23-10-7-21(28)8-11-23/h7-12,17-20,29H,2-6,13-16H2,1H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411408
PNG
(Preparation of (R)-4-fluoro-N-(3-(1-isobutyrylpipe...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)c(O[C@@H]4CCOC4)c3)cc12
Show InChI InChI=1S/C28H34FN3O5S/c1-18(2)28(33)32-11-8-19(9-12-32)24-16-31(3)26-7-4-20(14-23(24)26)30-38(34,35)22-5-6-25(29)27(15-22)37-21-10-13-36-17-21/h4-7,14-16,18-19,21,30H,8-13,17H2,1-3H3/t21-/m1/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411401
PNG
(N-(3-(1-(cyclopentanecarbonyl)piperidin-4-yl)-1- m...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NS(=O)(=O)c3ccccc3F)ccc12
Show InChI InChI=1S/C26H30FN3O3S/c1-29-17-22(18-12-14-30(15-13-18)26(31)19-6-2-3-7-19)21-16-20(10-11-24(21)29)28-34(32,33)25-9-5-4-8-23(25)27/h4-5,8-11,16-19,28H,2-3,6-7,12-15H2,1H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411399
PNG
(4-fluoro-N-(3-(1-(2-fluoro-6- methylbenzoyl)piperi...)
Show SMILES Cc1cccc(F)c1C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C28H27F2N3O3S/c1-18-4-3-5-25(30)27(18)28(34)33-14-12-19(13-15-33)24-17-32(2)26-11-8-21(16-23(24)26)31-37(35,36)22-9-6-20(29)7-10-22/h3-11,16-17,19,31H,12-15H2,1-2H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411402
PNG
((R)-4-fluoro-N-(3-(1-isobutyryl-2,2-dimethylpiperi...)
Show SMILES CC(C)C(=O)N1CC[C@H](CC1(C)C)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H32FN3O3S/c1-17(2)25(31)30-13-12-18(15-26(30,3)4)23-16-29(5)24-11-8-20(14-22(23)24)28-34(32,33)21-9-6-19(27)7-10-21/h6-11,14,16-18,28H,12-13,15H2,1-5H3/t18-/m1/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411396
PNG
(4-Fluoro-N-(1-methyl-3-(1-(3- methylbutanoyl)piper...)
Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C25H30FN3O3S/c1-17(2)14-25(30)29-12-10-18(11-13-29)23-16-28(3)24-9-6-20(15-22(23)24)27-33(31,32)21-7-4-19(26)5-8-21/h4-9,15-18,27H,10-14H2,1-3H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411385
PNG
(Preparation of 4-fluoro-N-(1-methyl-3-((3R,4R)-3-m...)
Show SMILES C[C@@H](C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12)C(C)(C)C
Show InChI InChI=1S/C28H36FN3O3S/c1-18-16-32(27(33)19(2)28(3,4)5)14-13-23(18)25-17-31(6)26-12-9-21(15-24(25)26)30-36(34,35)22-10-7-20(29)8-11-22/h7-12,15,17-19,23,30H,13-14,16H2,1-6H3/t18-,19-,23+/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411413
PNG
((R)-N-(1-methyl-3-(1-(2,3,3- trimethylbutanoyl)pip...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccccc3)cc12)C(C)(C)C
Show InChI InChI=1S/C27H35N3O3S/c1-19(27(2,3)4)26(31)30-15-13-20(14-16-30)24-18-29(5)25-12-11-21(17-23(24)25)28-34(32,33)22-9-7-6-8-10-22/h6-12,17-20,28H,13-16H2,1-5H3/t19-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411405
PNG
(Preparation of N-(3-((2S,4R)-1-(cyclopentanecarbon...)
Show SMILES C[C@H]1C[C@@H](CCN1C(=O)C1CCCC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C27H32FN3O3S/c1-18-15-20(13-14-31(18)27(32)19-5-3-4-6-19)25-17-30(2)26-12-9-22(16-24(25)26)29-35(33,34)23-10-7-21(28)8-11-23/h7-12,16-20,29H,3-6,13-15H2,1-2H3/t18-,20+/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411414
PNG
((R)-3,5-dimethyl-N-(1-methyl-3-(1-(2,3,3- trimethy...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc12)C(C)(C)C
Show InChI InChI=1S/C26H36N4O4S/c1-16(26(4,5)6)25(31)30-12-10-19(11-13-30)22-15-29(7)23-9-8-20(14-21(22)23)28-35(32,33)24-17(2)27-34-18(24)3/h8-9,14-16,19,28H,10-13H2,1-7H3/t16-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411406
PNG
(Preparation of 4-fluoro-N-(3-(1-isobutyrylpiperidi...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)Nc1ccc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1
Show InChI InChI=1S/C25H30FN3O4S/c1-16(2)25(30)29-11-9-17(10-12-29)21-15-28(3)23-8-5-18(13-20(21)23)27-34(31,32)19-6-7-22(26)24(14-19)33-4/h5-8,13-17,27H,9-12H2,1-4H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411386
PNG
(Preparation of N-(3-((3R,4R)-1-((R)-2-cyclopentylp...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C29H36FN3O3S/c1-19-17-33(29(34)20(2)21-6-4-5-7-21)15-14-25(19)27-18-32(3)28-13-10-23(16-26(27)28)31-37(35,36)24-11-8-22(30)9-12-24/h8-13,16,18-21,25,31H,4-7,14-15,17H2,1-3H3/t19-,20+,25+/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411393
PNG
(4-fluoro-N-(1-methyl-3-(1-(4,4,4-trifluoro-3- meth...)
Show SMILES CC(CC(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12)C(F)(F)F
Show InChI InChI=1S/C25H27F4N3O3S/c1-16(25(27,28)29)13-24(33)32-11-9-17(10-12-32)22-15-31(2)23-8-5-19(14-21(22)23)30-36(34,35)20-6-3-18(26)4-7-20/h3-8,14-17,30H,9-13H2,1-2H3
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US Patent


Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411397
PNG
(N-(3-(1-(2-Cyclopropylacetyl)piperidin-4-yl)-1- me...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CC2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C25H28FN3O3S/c1-28-16-23(18-10-12-29(13-11-18)25(30)14-17-2-3-17)22-15-20(6-9-24(22)28)27-33(31,32)21-7-4-19(26)5-8-21/h4-9,15-18,27H,2-3,10-14H2,1H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411392
PNG
(N-(3-(1-(cyclopropanecarbonyl)piperidin-4-yl)-1- m...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CC2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H26FN3O3S/c1-27-15-22(16-10-12-28(13-11-16)24(29)17-2-3-17)21-14-19(6-9-23(21)27)26-32(30,31)20-7-4-18(25)5-8-20/h4-9,14-17,26H,2-3,10-13H2,1H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411407
PNG
(Preparation of 4-fluoro-3-hydroxy-N-(3-(1-isobutyr...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)c(O)c3)cc12
Show InChI InChI=1S/C24H28FN3O4S/c1-15(2)24(30)28-10-8-16(9-11-28)20-14-27(3)22-7-4-17(12-19(20)22)26-33(31,32)18-5-6-21(25)23(29)13-18/h4-7,12-16,26,29H,8-11H2,1-3H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411395
PNG
(N-(3-(1-(cyclobutanecarbonyl)piperidin-4-yl)-1- me...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCC2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C25H28FN3O3S/c1-28-16-23(17-11-13-29(14-12-17)25(30)18-3-2-4-18)22-15-20(7-10-24(22)28)27-33(31,32)21-8-5-19(26)6-9-21/h5-10,15-18,27H,2-4,11-14H2,1H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411388
PNG
(N-(3-((3S,4S)-1-(cyclopentanecarbonyl)-3- methyipi...)
Show SMILES C[C@@H]1CN(CC[C@@H]1c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12)C(=O)C1CCCC1
Show InChI InChI=1S/C27H32FN3O3S/c1-18-16-31(27(32)19-5-3-4-6-19)14-13-23(18)25-17-30(2)26-12-9-21(15-24(25)26)29-35(33,34)22-10-7-20(28)8-11-22/h7-12,15,17-19,23,29H,3-6,13-14,16H2,1-2H3/t18-,23+/m1/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411390
PNG
(Preparation of 4-fluoro-N-(3-(1-(isothiazole-5-car...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)c2ccns2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H23FN4O3S2/c1-28-15-21(16-9-12-29(13-10-16)24(30)23-8-11-26-33-23)20-14-18(4-7-22(20)28)27-34(31,32)19-5-2-17(25)3-6-19/h2-8,11,14-16,27H,9-10,12-13H2,1H3
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM411404
PNG
(Preparation of N-(3-((2S,4S)-1-(cyclopentanecarbon...)
Show SMILES C[C@H]1C[C@H](CCN1C(=O)C1CCCC1)c1cn(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C27H32FN3O3S/c1-18-15-20(13-14-31(18)27(32)19-5-3-4-6-19)25-17-30(2)26-12-9-22(16-24(25)26)29-35(33,34)23-10-7-21(28)8-11-23/h7-12,16-20,29H,3-6,13-15H2,1-2H3/t18-,20-/m0/s1
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Assay Description
In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...


US Patent US10385036 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B40
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%