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Patent code US9670201

Compile Data Set for Download or QSAR
Found 104 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))
BDBM189904
PNG
(US9670201, 29 (S)-3-cyano-N-(1-methyl-3-(1-(tetrah...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1
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US Patent
n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190325
PNG
(US9670201, 81 3-cyano-N-(3-((3R,4R)-1-(cyclopentan...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(=O)C1CCCC1
Show InChI InChI=1S/C29H30F3N5O2/c1-17-15-37(28(39)19-7-3-4-8-19)11-10-21(17)22-16-36(2)26-24(22)25(29(30,31)32)23(14-34-26)35-27(38)20-9-5-6-18(12-20)13-33/h5-6,9,12,14,16-17,19,21H,3-4,7-8,10-11,15H2,1-2H3,(H,35,38)/t17-,21+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189884
PNG
(US9670201, 11 4-chloro-3-cyano-N-(3-(1-isobutyrylp...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(Cl)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H25ClF3N5O2/c1-14(2)25(37)35-8-6-15(7-9-35)18-13-34(3)23-21(18)22(26(28,29)30)20(12-32-23)33-24(36)16-4-5-19(27)17(10-16)11-31/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190322
PNG
(US9670201, 78 3-cyano-N-(3-((1R,5S,8r)-3-isobutyry...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3C4CC[C@H]3CN(C4)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O3/c1-15(2)28(39)37-12-17-5-6-18(13-37)23(17)20-14-36(3)26-24(20)25(29(30,31)32)21(11-34-26)35-27(38)16-7-8-22(40-4)19(9-16)10-33/h7-9,11,14-15,17-18,23H,5-6,12-13H2,1-4H3,(H,35,38)/t17-,18?,23?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190346
PNG
(US9670201, 95 3-cyano-N-(3-((2S,4R)-1-isobutyryl-2...)
Show SMILES CC(C)C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-8-18(10-16(35)3)20-14-34(4)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)19-7-5-6-17(11-19)12-31/h5-7,11,13-16,18H,8-10H2,1-4H3,(H,33,36)/t16-,18+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189895
PNG
(US9670201, 22 (S)-3-cyano-N-(1-methyl-4-(trifluoro...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189905
PNG
(US9670201, 30 (R)-3-cyano-4-methoxy-N-(1-methyl-4-...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C30H34F3N5O3/c1-17(29(2,3)4)28(40)38-11-9-18(10-12-38)21-16-37(5)26-24(21)25(30(31,32)33)22(15-35-26)36-27(39)19-7-8-23(41-6)20(13-19)14-34/h7-8,13,15-18H,9-12H2,1-6H3,(H,36,39)/t17-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189874
PNG
(US9670201, 3 3-cyano-N-(3-(1-(cyclopentanecarbonyl...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3ccc(F)c(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H27F4N5O2/c1-36-15-20(16-8-10-37(11-9-16)27(39)17-4-2-3-5-17)23-24(28(30,31)32)22(14-34-25(23)36)35-26(38)18-6-7-21(29)19(12-18)13-33/h6-7,12,14-17H,2-5,8-11H2,1H3,(H,35,38)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189882
PNG
(US9670201, 10 3-chloro-N-(3-(1-isobutyrylpiperidin...)
Show SMILES COc1ccc(cc1Cl)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3/c1-14(2)25(36)34-9-7-15(8-10-34)17-13-33(3)23-21(17)22(26(28,29)30)19(12-31-23)32-24(35)16-5-6-20(37-4)18(27)11-16/h5-6,11-15H,7-10H2,1-4H3,(H,32,35)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189891
PNG
(US9670201, 18 3-cyano-N-(3-(1-(2-cyclobutylacetyl)...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189888
PNG
(US9670201, 15 3-cyano-N-(1-methyl-3-(1-(3-methylbu...)
Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-16(2)11-22(36)35-9-7-18(8-10-35)20-15-34(3)25-23(20)24(27(28,29)30)21(14-32-25)33-26(37)19-6-4-5-17(12-19)13-31/h4-6,12,14-16,18H,7-11H2,1-3H3,(H,33,37)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189873
PNG
(US9670201, 2 3-cyano-N-(3-(1-(cyclopentanecarbonyl...)
Show SMILES Cc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-7-8-20(13-21(17)14-33)27(38)35-23-15-34-26-24(25(23)29(30,31)32)22(16-36(26)2)18-9-11-37(12-10-18)28(39)19-5-3-4-6-19/h7-8,13,15-16,18-19H,3-6,9-12H2,1-2H3,(H,35,38)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190324
PNG
(US9670201, 80 3-cyano-N-(3-((3R,4R)-1-isobutyryl-3...)
Show SMILES CC(C)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-8-19(16(3)13-35)20-14-34(4)24-22(20)23(27(28,29)30)21(12-32-24)33-25(36)18-7-5-6-17(10-18)11-31/h5-7,10,12,14-16,19H,8-9,13H2,1-4H3,(H,33,36)/t16-,19+/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189918
PNG
(US9670201, 41 (R)-5-chloro-N-(1,4-dimethyl-3-(1-(2...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(Cl)ccc3F)c(C)c12)C(C)(C)C
Show InChI InChI=1S/C28H34ClFN4O2/c1-16-23(32-26(35)20-13-19(29)7-8-22(20)30)14-31-25-24(16)21(15-33(25)6)18-9-11-34(12-10-18)27(36)17(2)28(3,4)5/h7-8,13-15,17-18H,9-12H2,1-6H3,(H,32,35)/t17-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189913
PNG
(US9670201, 36 N-(3-(1-((1S,2R,4R)-bicyclo[2.2.1]he...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3C[C@@H]4CCC3C4)c12
Show InChI InChI=1S/C30H33N5O2/c1-18-26(33-29(36)23-5-3-4-20(13-23)15-31)16-32-28-27(18)25(17-34(28)2)21-8-10-35(11-9-21)30(37)24-14-19-6-7-22(24)12-19/h3-5,13,16-17,19,21-22,24H,6-12,14H2,1-2H3,(H,33,36)/t19-,22?,24?/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189897
PNG
(US9670201, 23 3-cyano-N-(3-(1-(cyclopentanecarbony...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(18-9-11-36(12-10-18)27(38)19-6-2-3-7-19)23-24(28(29,30)31)22(15-33-25(23)35)34-26(37)20-8-4-5-17(13-20)14-32/h4-5,8,13,15-16,18-19H,2-3,6-7,9-12H2,1H3,(H,34,37)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189936
PNG
(US9670201, 54 (R)-3-cyano-5-hydroxy-N-(1-methyl-4-...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(O)cc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C29H32F3N5O3/c1-16(28(2,3)4)27(40)37-8-6-18(7-9-37)21-15-36(5)25-23(21)24(29(30,31)32)22(14-34-25)35-26(39)19-10-17(13-33)11-20(38)12-19/h10-12,14-16,18,38H,6-9H2,1-5H3,(H,35,39)/t16-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189879
PNG
(US9670201, 7 3-cyano-N-(3-(1-isobutyrylpiperidin-4...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(C)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-7-17(8-10-35)20-14-34(4)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-6-5-16(3)19(11-18)12-31/h5-6,11,13-15,17H,7-10H2,1-4H3,(H,33,36)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189894
PNG
(US9670201, 21 (R)-3-cyano-N-(1-methyl-4-(trifluoro...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189886
PNG
(US9670201, 13 3-chloro-N-(3-(1-isobutyrylpiperidin...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3/c1-14(2)25(36)34-7-5-15(6-8-34)19-13-33(3)23-21(19)22(26(28,29)30)20(12-31-23)32-24(35)16-9-17(27)11-18(10-16)37-4/h9-15H,5-8H2,1-4H3,(H,32,35)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190326
PNG
(US9670201, 82 3-cyano-2-fluoro-N-(3-((3R,4R)-1-iso...)
Show SMILES CC(C)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(C#N)c3F)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H27F4N5O2/c1-14(2)26(38)36-9-8-17(15(3)12-36)19-13-35(4)24-21(19)22(27(29,30)31)20(11-33-24)34-25(37)18-7-5-6-16(10-32)23(18)28/h5-7,11,13-15,17H,8-9,12H2,1-4H3,(H,34,37)/t15-,17+/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190320
PNG
(US9670201, 77 3-cyano-N-(3-((1R,5S,8r)-3-isobutyry...)
Show SMILES CC(C)C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-15(2)27(38)36-12-18-7-8-19(13-36)22(18)20-14-35(3)25-23(20)24(28(29,30)31)21(11-33-25)34-26(37)17-6-4-5-16(9-17)10-32/h4-6,9,11,14-15,18-19,22H,7-8,12-13H2,1-3H3,(H,34,37)/t18-,19+,22-
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189893
PNG
(US9670201, 20 3-cyano-N-(3-(1-(2-cyclohexylacetyl)...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C30H32F3N5O2/c1-37-18-23(21-10-12-38(13-11-21)25(39)15-19-6-3-2-4-7-19)26-27(30(31,32)33)24(17-35-28(26)37)36-29(40)22-9-5-8-20(14-22)16-34/h5,8-9,14,17-19,21H,2-4,6-7,10-13,15H2,1H3,(H,36,40)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189890
PNG
(US9670201, 17 3-cyano-N-(1-methyl-4-(trifluorometh...)
Show SMILES CC(C)C(C)(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C30H34F3N5O2/c1-18(2)29(3,4)14-24(39)38-11-9-20(10-12-38)22-17-37(5)27-25(22)26(30(31,32)33)23(16-35-27)36-28(40)21-8-6-7-19(13-21)15-34/h6-8,13,16-18,20H,9-12,14H2,1-5H3,(H,36,40)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189880
PNG
(US9670201, 8 3-cyano-N-(3-(1-isobutyrylpiperidin-4...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-7-5-17(6-8-35)20-14-34(3)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-9-16(12-31)10-19(11-18)38-4/h9-11,13-15,17H,5-8H2,1-4H3,(H,33,36)
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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189881
PNG
(US9670201, 9 3-cyano-4-fluoro-N-(3-(1-isobutyrylpi...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(F)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O2/c1-14(2)25(37)35-8-6-15(7-9-35)18-13-34(3)23-21(18)22(26(28,29)30)20(12-32-23)33-24(36)16-4-5-19(27)17(10-16)11-31/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)
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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189906
PNG
(US9670201, 31 (S)-3-cyano-4-methoxy-N-(1-methyl-4-...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@@H](C)C(C)(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C30H34F3N5O3/c1-17(29(2,3)4)28(40)38-11-9-18(10-12-38)21-16-37(5)26-24(21)25(30(31,32)33)22(15-35-26)36-27(39)19-7-8-23(41-6)20(13-19)14-34/h7-8,13,15-18H,9-12H2,1-6H3,(H,36,39)/t17-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189938
PNG
(US9670201, 56 (R)-3-cyano-N-(1,4-dimethyl-3-(1-(2,...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(O)cc(c3)C#N)c(C)c12)C(C)(C)C
Show InChI InChI=1S/C29H35N5O3/c1-17-24(32-27(36)21-11-19(14-30)12-22(35)13-21)15-31-26-25(17)23(16-33(26)6)20-7-9-34(10-8-20)28(37)18(2)29(3,4)5/h11-13,15-16,18,20,35H,7-10H2,1-6H3,(H,32,36)/t18-/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189887
PNG
(US9670201, 14 3-cyano-N-(3-(1-(2-cyclopentylacetyl...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-36-17-22(20-9-11-37(12-10-20)24(38)14-18-5-2-3-6-18)25-26(29(30,31)32)23(16-34-27(25)36)35-28(39)21-8-4-7-19(13-21)15-33/h4,7-8,13,16-18,20H,2-3,5-6,9-12,14H2,1H3,(H,35,39)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190312
PNG
(US9670201, 70 (R)-3-cyano-N-(3-(1-isobutyryl-2,2-d...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C(C)C)C(C)(C)C3)c2c1C
Show InChI InChI=1S/C29H35N5O3/c1-17(2)28(36)34-11-10-20(13-29(34,4)5)22-16-33(6)26-25(22)18(3)23(15-31-26)32-27(35)19-8-9-24(37-7)21(12-19)14-30/h8-9,12,15-17,20H,10-11,13H2,1-7H3,(H,32,35)/t20-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189910
PNG
(US9670201, 34 3-cyano-N-(3-(1-(2,3-dihydro-1H-inde...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)c3cccc4CCCc34)c12
Show InChI InChI=1S/C32H31N5O2/c1-20-28(35-31(38)24-9-3-6-21(16-24)17-33)18-34-30-29(20)27(19-36(30)2)23-12-14-37(15-13-23)32(39)26-11-5-8-22-7-4-10-25(22)26/h3,5-6,8-9,11,16,18-19,23H,4,7,10,12-15H2,1-2H3,(H,35,38)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190304
PNG
(US9670201, 65 (R)-3-cyano-N-(3-(1-(cyclopentanecar...)
Show SMILES Cn1cc([C@@H]2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C30H32F3N5O2/c1-29(2)14-21(11-12-38(29)28(40)19-8-4-5-9-19)22-17-37(3)26-24(22)25(30(31,32)33)23(16-35-26)36-27(39)20-10-6-7-18(13-20)15-34/h6-7,10,13,16-17,19,21H,4-5,8-9,11-12,14H2,1-3H3,(H,36,39)/t21-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189878
PNG
(US9670201, 6 3-cyano-N-(3-(1-isobutyrylpiperidin-4...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-9-7-16(8-10-35)19-14-34(3)24-22(19)23(27(28,29)30)20(13-32-24)33-25(36)17-5-6-21(38-4)18(11-17)12-31/h5-6,11,13-16H,7-10H2,1-4H3,(H,33,36)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189898
PNG
(US9670201, 24 3-cyano-N-(3-(1-(2-cyclopropylacetyl...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2/c1-34-15-20(18-7-9-35(10-8-18)22(36)12-16-5-6-16)23-24(27(28,29)30)21(14-32-25(23)34)33-26(37)19-4-2-3-17(11-19)13-31/h2-4,11,14-16,18H,5-10,12H2,1H3,(H,33,37)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189899
PNG
(US9670201, 25 Rac-3-cyano-N-(3-(1-(2-cyclopropylpr...)
Show SMILES CC(C1CC1)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-16(18-6-7-18)27(38)36-10-8-19(9-11-36)21-15-35(2)25-23(21)24(28(29,30)31)22(14-33-25)34-26(37)20-5-3-4-17(12-20)13-32/h3-5,12,14-16,18-19H,6-11H2,1-2H3,(H,34,37)
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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190317
PNG
(US9670201, 74 (R)-3-cyano-N-(3-(1-(2-cyclopentylac...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)CC4CCCC4)C(C)(C)C3)c12
Show InChI InChI=1S/C31H37N5O2/c1-20-26(34-30(38)23-11-7-10-22(14-23)17-32)18-33-29-28(20)25(19-35(29)4)24-12-13-36(31(2,3)16-24)27(37)15-21-8-5-6-9-21/h7,10-11,14,18-19,21,24H,5-6,8-9,12-13,15-16H2,1-4H3,(H,34,38)/t24-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189931
PNG
(US9670201, 49 3-cyano-N-(3-(1-((1R,2S)-2-isopropyl...)
Show SMILES CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C31H37N5O2/c1-19(2)24-9-6-10-25(24)31(38)36-13-11-22(12-14-36)26-18-35(4)29-28(26)20(3)27(17-33-29)34-30(37)23-8-5-7-21(15-23)16-32/h5,7-8,15,17-19,22,24-25H,6,9-14H2,1-4H3,(H,34,37)/t24-,25+/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189902
PNG
(US9670201, 27 Rac-3-cyano-N-(1-methyl-3-(1-((1R*,2...)
Show SMILES C[C@@H]1CCC[C@@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-5-3-8-21(17)28(39)37-11-9-19(10-12-37)22-16-36(2)26-24(22)25(29(30,31)32)23(15-34-26)35-27(38)20-7-4-6-18(13-20)14-33/h4,6-7,13,15-17,19,21H,3,5,8-12H2,1-2H3,(H,35,38)/t17-,21+/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189901
PNG
(US9670201, 26 Rac-3-cyano-N-(1-methyl-3-(1-((1S*,2...)
Show SMILES C[C@@H]1CCC[C@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-5-3-8-21(17)28(39)37-11-9-19(10-12-37)22-16-36(2)26-24(22)25(29(30,31)32)23(15-34-26)35-27(38)20-7-4-6-18(13-20)14-33/h4,6-7,13,15-17,19,21H,3,5,8-12H2,1-2H3,(H,35,38)/t17-,21-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189933
PNG
(US9670201, 51 (R)-3-cyano-N-(3-(1-(2-cyclopentylpr...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C30H35N5O2/c1-19(22-8-4-5-9-22)30(37)35-13-11-23(12-14-35)25-18-34(3)28-27(25)20(2)26(17-32-28)33-29(36)24-10-6-7-21(15-24)16-31/h6-7,10,15,17-19,22-23H,4-5,8-9,11-14H2,1-3H3,(H,33,36)/t19-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189872
PNG
(US9670201, 1 3-cyano-N-(3-(1-(cyclopentanecarbonyl...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C29H30F3N5O3/c1-36-16-22(18-7-9-37(10-8-18)28(39)19-5-3-4-6-19)24-25(29(30,31)32)23(15-34-26(24)36)35-27(38)20-11-17(14-33)12-21(13-20)40-2/h11-13,15-16,18-19H,3-10H2,1-2H3,(H,35,38)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189903
PNG
(US9670201, 28 (R)-3-cyano-N-(1-methyl-3-(1-(tetrah...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m1/s1
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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189911
PNG
(US9670201, 35 N-(3-(1-((1R,2S,4S)-bicyclo[2.2.1]he...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3C[C@H]4CCC3C4)c12
Show InChI InChI=1S/C30H33N5O2/c1-18-26(33-29(36)23-5-3-4-20(13-23)15-31)16-32-28-27(18)25(17-34(28)2)21-8-10-35(11-9-21)30(37)24-14-19-6-7-22(24)12-19/h3-5,13,16-17,19,21-22,24H,6-12,14H2,1-2H3,(H,33,36)/t19-,22?,24?/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190318
PNG
(US9670201, 75 (R)-3-cyano-N-(3-(1-(2-cyclohexylace...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)CC4CCCCC4)C(C)(C)C3)c12
Show InChI InChI=1S/C32H39N5O2/c1-21-27(35-31(39)24-12-8-11-23(15-24)18-33)19-34-30-29(21)26(20-36(30)4)25-13-14-37(32(2,3)17-25)28(38)16-22-9-6-5-7-10-22/h8,11-12,15,19-20,22,25H,5-7,9-10,13-14,16-17H2,1-4H3,(H,35,39)/t25-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190307
PNG
(US9670201, 66 (R)-3-cyano-N-(3-(1-isobutyryl-2,2-d...)
Show SMILES CC(C)C(=O)N1CC[C@H](CC1(C)C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C28H30F3N5O2/c1-16(2)26(38)36-10-9-19(12-27(36,3)4)20-15-35(5)24-22(20)23(28(29,30)31)21(14-33-24)34-25(37)18-8-6-7-17(11-18)13-32/h6-8,11,14-16,19H,9-10,12H2,1-5H3,(H,34,37)/t19-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189932
PNG
(US9670201, 50 (R)?N-(3-(1-(2-(bicyclo[1.1.1]pentan...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C12CC(C1)C2
Show InChI InChI=1S/C30H33N5O2/c1-18-25(33-28(36)23-6-4-5-20(11-23)15-31)16-32-27-26(18)24(17-34(27)3)22-7-9-35(10-8-22)29(37)19(2)30-12-21(13-30)14-30/h4-6,11,16-17,19,21-22H,7-10,12-14H2,1-3H3,(H,33,36)/t19-,21?,30?/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190319
PNG
(US9670201, 76 (R)-3-cyano-N-(3-(1-(2-cyclobutylace...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)CC4CCC4)C(C)(C)C3)c12
Show InChI InChI=1S/C30H35N5O2/c1-19-25(33-29(37)22-10-6-9-21(13-22)16-31)17-32-28-27(19)24(18-34(28)4)23-11-12-35(30(2,3)15-23)26(36)14-20-7-5-8-20/h6,9-10,13,17-18,20,23H,5,7-8,11-12,14-15H2,1-4H3,(H,33,37)/t23-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189919
PNG
(US9670201, 42 (R)-3-chloro-N-(1,4-dimethyl-3-(1-(2...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C
Show InChI InChI=1S/C29H37ClN4O3/c1-17-24(32-27(35)20-12-21(30)14-22(13-20)37-7)15-31-26-25(17)23(16-33(26)6)19-8-10-34(11-9-19)28(36)18(2)29(3,4)5/h12-16,18-19H,8-11H2,1-7H3,(H,32,35)/t18-/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189917
PNG
(US9670201, 40 (R)-5-cyano-N-(1,4-dimethyl-3-(1-(2,...)
Show SMILES COc1ccc(cc1C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C)C#N
Show InChI InChI=1S/C30H37N5O3/c1-18-24(33-28(36)22-14-20(15-31)8-9-25(22)38-7)16-32-27-26(18)23(17-34(27)6)21-10-12-35(13-11-21)29(37)19(2)30(3,4)5/h8-9,14,16-17,19,21H,10-13H2,1-7H3,(H,33,36)/t19-/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189915
PNG
(US9670201, 38 (R)-3-cyano-N-(1,4-dimethyl-3-(1-(2,...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C
Show InChI InChI=1S/C30H37N5O3/c1-18-24(33-28(36)21-8-9-25(38-7)22(14-21)15-31)16-32-27-26(18)23(17-34(27)6)20-10-12-35(13-11-20)29(37)19(2)30(3,4)5/h8-9,14,16-17,19-20H,10-13H2,1-7H3,(H,33,36)/t19-/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189935
PNG
(US9670201, 53 3-cyano-N-(3-(1-(cyclopentanecarbony...)
Show SMILES Cc1c(NC(=O)c2cc(O)cc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12
Show InChI InChI=1S/C28H31N5O3/c1-17-24(31-27(35)21-11-18(14-29)12-22(34)13-21)15-30-26-25(17)23(16-32(26)2)19-7-9-33(10-8-19)28(36)20-5-3-4-6-20/h11-13,15-16,19-20,34H,3-10H2,1-2H3,(H,31,35)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189875
PNG
(US9670201, 4 3-cyano-N-(3-(1-(cyclopentanecarbonyl...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O3/c1-36-16-21(17-9-11-37(12-10-17)28(39)18-5-3-4-6-18)24-25(29(30,31)32)22(15-34-26(24)36)35-27(38)19-7-8-23(40-2)20(13-19)14-33/h7-8,13,15-18H,3-6,9-12H2,1-2H3,(H,35,38)
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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190308
PNG
(US9670201, 67 (R)-3-cyano-N-(3-(1-isobutyryl-2,2-d...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C(C)C)C(C)(C)C3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O3/c1-16(2)27(39)37-10-9-18(12-28(37,3)4)20-15-36(5)25-23(20)24(29(30,31)32)21(14-34-25)35-26(38)17-7-8-22(40-6)19(11-17)13-33/h7-8,11,14-16,18H,9-10,12H2,1-6H3,(H,35,38)/t18-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189892
PNG
(US9670201, 19 3-cyano-N-(3-(1-(cyclohexanecarbonyl...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-36-17-22(19-10-12-37(13-11-19)28(39)20-7-3-2-4-8-20)24-25(29(30,31)32)23(16-34-26(24)36)35-27(38)21-9-5-6-18(14-21)15-33/h5-6,9,14,16-17,19-20H,2-4,7-8,10-13H2,1H3,(H,35,38)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189916
PNG
(US9670201, 39 (R)-3-cyano-N-(1,4-dimethyl-3-(1-(2,...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C)C#N
Show InChI InChI=1S/C30H37N5O3/c1-18-25(33-28(36)22-12-20(15-31)13-23(14-22)38-7)16-32-27-26(18)24(17-34(27)6)21-8-10-35(11-9-21)29(37)19(2)30(3,4)5/h12-14,16-17,19,21H,8-11H2,1-7H3,(H,33,36)/t19-/m0/s1
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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189923
PNG
(US9670201, 110 3-cyano-N-(3-(1-isobutyrylpiperidin...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C
Show InChI InChI=1S/C27H31N5O3/c1-16(2)27(34)32-10-8-18(9-11-32)21-15-31(4)25-24(21)17(3)22(14-29-25)30-26(33)19-6-7-23(35-5)20(12-19)13-28/h6-7,12,14-16,18H,8-11H2,1-5H3,(H,30,33)
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US Patent
n/an/a 9.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190310
PNG
(US9670201, 68 3-cyano-N-(3-((R)-2,2-dimethyl-1-((R...)
Show SMILES C[C@@H](C(=O)N1CC[C@H](CC1(C)C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(C)(C)C
Show InChI InChI=1S/C31H39N5O2/c1-19-25(34-28(37)22-11-9-10-21(14-22)16-32)17-33-27-26(19)24(18-35(27)8)23-12-13-36(31(6,7)15-23)29(38)20(2)30(3,4)5/h9-11,14,17-18,20,23H,12-13,15H2,1-8H3,(H,34,37)/t20-,23+/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190300
PNG
(US9670201, 62 (R)-3-chloro-N-(3-(1-isobutyryl-2,2-...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C(C)C)C(C)(C)C3)c2c1C
Show InChI InChI=1S/C28H35ClN4O3/c1-16(2)27(35)33-9-8-18(13-28(33,4)5)22-15-32(6)25-24(22)17(3)23(14-30-25)31-26(34)19-10-20(29)12-21(11-19)36-7/h10-12,14-16,18H,8-9,13H2,1-7H3,(H,31,34)/t18-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190313
PNG
(US9670201, 71 (R)-3-cyano-N-(3-(1-(cyclopentanecar...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c12
Show InChI InChI=1S/C30H35N5O2/c1-19-25(33-28(36)22-11-7-8-20(14-22)16-31)17-32-27-26(19)24(18-34(27)4)23-12-13-35(30(2,3)15-23)29(37)21-9-5-6-10-21/h7-8,11,14,17-18,21,23H,5-6,9-10,12-13,15H2,1-4H3,(H,33,36)/t23-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189889
PNG
(US9670201, 16 3-cyano-N-(1-methyl-3-(1-((2r,3aR,7a...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@H]2C[C@H]3CCCC[C@H]3C2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O2/c1-39-18-25(20-9-11-40(12-10-20)31(42)24-14-21-6-2-3-7-22(21)15-24)27-28(32(33,34)35)26(17-37-29(27)39)38-30(41)23-8-4-5-19(13-23)16-36/h4-5,8,13,17-18,20-22,24H,2-3,6-7,9-12,14-15H2,1H3,(H,38,41)/t21-,22+,24+
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189929
PNG
(US9670201, 47 3-cyano-N-(1,4-dimethyl-3-(1-((1R,2R...)
Show SMILES C[C@@H]1CCC[C@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C29H33N5O2/c1-18-6-4-9-23(18)29(36)34-12-10-21(11-13-34)24-17-33(3)27-26(24)19(2)25(16-31-27)32-28(35)22-8-5-7-20(14-22)15-30/h5,7-8,14,16-18,21,23H,4,6,9-13H2,1-3H3,(H,32,35)/t18-,23-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190311
PNG
(US9670201, 69 3-cyano-N-(3-((R)-2,2-dimethyl-1-((R...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)[C@H](C)C(C)(C)C)C(C)(C)C3)c2c1C
Show InChI InChI=1S/C32H41N5O3/c1-19-25(35-29(38)21-10-11-26(40-9)23(14-21)16-33)17-34-28-27(19)24(18-36(28)8)22-12-13-37(32(6,7)15-22)30(39)20(2)31(3,4)5/h10-11,14,17-18,20,22H,12-13,15H2,1-9H3,(H,35,38)/t20-,22+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189937
PNG
(US9670201, 55 3-cyano-N-(3-(1-(cyclopentanecarbony...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3cc(O)cc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O3/c1-35-15-21(17-6-8-36(9-7-17)27(39)18-4-2-3-5-18)23-24(28(29,30)31)22(14-33-25(23)35)34-26(38)19-10-16(13-32)11-20(37)12-19/h10-12,14-15,17-18,37H,2-9H2,1H3,(H,34,38)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189941
PNG
(US9670201, 59 (R)-3-cyano-N-(3-(1-(cyclopentanecar...)
Show SMILES Cc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C
Show InChI InChI=1S/C31H37N5O2/c1-19-10-11-22(14-24(19)16-32)29(37)34-26-17-33-28-27(20(26)2)25(18-35(28)5)23-12-13-36(31(3,4)15-23)30(38)21-8-6-7-9-21/h10-11,14,17-18,21,23H,6-9,12-13,15H2,1-5H3,(H,34,37)/t23-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189885
PNG
(US9670201, 12 3-chloro-4-fluoro-N-(3-(1-isobutyryl...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(F)c(Cl)c3)c(c12)C(F)(F)F
Show InChI InChI=1S/C25H25ClF4N4O2/c1-13(2)24(36)34-8-6-14(7-9-34)16-12-33(3)22-20(16)21(25(28,29)30)19(11-31-22)32-23(35)15-4-5-18(27)17(26)10-15/h4-5,10-14H,6-9H2,1-3H3,(H,32,35)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189939
PNG
(US9670201, 57 3-cyano-N-(3-(1-(cyclopentanecarbony...)
Show SMILES COCCOc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C)C#N
Show InChI InChI=1S/C31H37N5O4/c1-20-27(34-30(37)24-14-21(17-32)15-25(16-24)40-13-12-39-3)18-33-29-28(20)26(19-35(29)2)22-8-10-36(11-9-22)31(38)23-6-4-5-7-23/h14-16,18-19,22-23H,4-13H2,1-3H3,(H,34,37)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189914
PNG
(US9670201, 37 (R)-3-cyano-N-(3-(1-(2,3-dimethylbut...)
Show SMILES CC(C)[C@@H](C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C28H33N5O2/c1-17(2)18(3)28(35)33-11-9-21(10-12-33)23-16-32(5)26-25(23)19(4)24(15-30-26)31-27(34)22-8-6-7-20(13-22)14-29/h6-8,13,15-18,21H,9-12H2,1-5H3,(H,31,34)/t18-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190301
PNG
(US9670201, 63 (R)-3-chloro-N-(3-(1-(cyclopentane-c...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C
Show InChI InChI=1S/C30H37ClN4O3/c1-18-25(33-28(36)21-12-22(31)14-23(13-21)38-5)16-32-27-26(18)24(17-34(27)4)20-10-11-35(30(2,3)15-20)29(37)19-8-6-7-9-19/h12-14,16-17,19-20H,6-11,15H2,1-5H3,(H,33,36)/t20-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190328
PNG
(US9670201, 84 3-cyano-N-(3-((3R,4R)-1-(cyclopentan...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(=O)C1CCCC1
Show InChI InChI=1S/C29H33N5O2/c1-18-16-34(29(36)21-8-4-5-9-21)12-11-23(18)24-17-33(3)27-26(24)19(2)25(15-31-27)32-28(35)22-10-6-7-20(13-22)14-30/h6-7,10,13,15,17-18,21,23H,4-5,8-9,11-12,16H2,1-3H3,(H,32,35)/t18-,23+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189934
PNG
(US9670201, 52 3-cyano-N-(3-(1-(cyclopentanecarbony...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C)C#N
Show InChI InChI=1S/C29H33N5O3/c1-18-25(32-28(35)22-12-19(15-30)13-23(14-22)37-3)16-31-27-26(18)24(17-33(27)2)20-8-10-34(11-9-20)29(36)21-6-4-5-7-21/h12-14,16-17,20-21H,4-11H2,1-3H3,(H,32,35)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189920
PNG
(US9670201, 43 (R)-3-cyano-N-(1,4-dimethyl-3-(1-(2,...)
Show SMILES COCCOc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C
Show InChI InChI=1S/C32H41N5O4/c1-20-26(35-30(38)23-8-9-27(24(16-23)17-33)41-15-14-40-7)18-34-29-28(20)25(19-36(29)6)22-10-12-37(13-11-22)31(39)21(2)32(3,4)5/h8-9,16,18-19,21-22H,10-15H2,1-7H3,(H,35,38)/t21-/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189926
PNG
(US9670201, 45 (S)-3-cyano-N-(1,4-dimethyl-3-(1-(3,...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(F)(F)F)c2c1C
Show InChI InChI=1S/C27H28F3N5O3/c1-15-21(33-25(36)18-5-6-22(38-4)19(11-18)12-31)13-32-24-23(15)20(14-34(24)3)17-7-9-35(10-8-17)26(37)16(2)27(28,29)30/h5-6,11,13-14,16-17H,7-10H2,1-4H3,(H,33,36)/t16-/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189940
PNG
(US9670201, 58 (R)-3-cyano-N-(3-(1-(cyclopentanecar...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C)C#N
Show InChI InChI=1S/C31H37N5O3/c1-19-26(34-29(37)23-12-20(16-32)13-24(14-23)39-5)17-33-28-27(19)25(18-35(28)4)22-10-11-36(31(2,3)15-22)30(38)21-8-6-7-9-21/h12-14,17-18,21-22H,6-11,15H2,1-5H3,(H,34,37)/t22-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190299
PNG
(US9670201, 61 (R)-3-cyano-N-(3-(1-(cyclopentanecar...)
Show SMILES Cc1c(NC(=O)c2ccc(F)c(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c12
Show InChI InChI=1S/C30H34FN5O2/c1-18-25(34-28(37)20-9-10-24(31)22(13-20)15-32)16-33-27-26(18)23(17-35(27)4)21-11-12-36(30(2,3)14-21)29(38)19-7-5-6-8-19/h9-10,13,16-17,19,21H,5-8,11-12,14H2,1-4H3,(H,34,37)/t21-/m1/s1
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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190334
PNG
(US9670201, 87 3-cyano-N-(3-((3R,4R)-1-(cyclopentan...)
Show SMILES COCCOc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C[C@@H]3C)C(=O)C3CCCC3)c2c1C
Show InChI InChI=1S/C32H39N5O4/c1-20-18-37(32(39)22-7-5-6-8-22)12-11-25(20)26-19-36(3)30-29(26)21(2)27(17-34-30)35-31(38)23-9-10-28(24(15-23)16-33)41-14-13-40-4/h9-10,15,17,19-20,22,25H,5-8,11-14,18H2,1-4H3,(H,35,38)/t20-,25+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190232
PNG
(US9670201, 60 (R)-3-cyano-N-(3-(1-(cyclopentanecar...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C
Show InChI InChI=1S/C31H37N5O3/c1-19-25(34-29(37)21-10-11-26(39-5)23(14-21)16-32)17-33-28-27(19)24(18-35(28)4)22-12-13-36(31(2,3)15-22)30(38)20-8-6-7-9-20/h10-11,14,17-18,20,22H,6-9,12-13,15H2,1-5H3,(H,34,37)/t22-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190314
PNG
(US9670201, 72 (R)-3-cyano-N-(3-(1-isobutyryl-2,2-d...)
Show SMILES CC(C)C(=O)N1CC[C@H](CC1(C)C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C28H33N5O2/c1-17(2)27(35)33-11-10-21(13-28(33,4)5)22-16-32(6)25-24(22)18(3)23(15-30-25)31-26(34)20-9-7-8-19(12-20)14-29/h7-9,12,15-17,21H,10-11,13H2,1-6H3,(H,31,34)/t21-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190333
PNG
(US9670201, 86 3-cyano-N-(3-((3R,4R)-1-(2-cycloprop...)
Show SMILES CC(C1CC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C29H33N5O2/c1-17-15-34(29(36)18(2)21-8-9-21)11-10-23(17)24-16-33(4)27-26(24)19(3)25(14-31-27)32-28(35)22-7-5-6-20(12-22)13-30/h5-7,12,14,16-18,21,23H,8-11,15H2,1-4H3,(H,32,35)/t17-,18?,23+/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189928
PNG
(US9670201, 46 3-cyano-N-(1,4-dimethyl-3-(1-((1S,2S...)
Show SMILES C[C@H]1CCC[C@@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C29H33N5O2/c1-18-6-4-9-23(18)29(36)34-12-10-21(11-13-34)24-17-33(3)27-26(24)19(2)25(16-31-27)32-28(35)22-8-5-7-20(14-22)15-30/h5,7-8,14,16-18,21,23H,4,6,9-13H2,1-3H3,(H,32,35)/t18-,23-/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190341
PNG
(US9670201, 92 3-cyano-N-(1,4-dimethyl-3-((2S,4R)-2...)
Show SMILES C[C@H](C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15-10-19(8-9-35(15)26(37)17(3)27(28,29)30)21-14-34(4)24-23(21)16(2)22(13-32-24)33-25(36)20-7-5-6-18(11-20)12-31/h5-7,11,13-15,17,19H,8-10H2,1-4H3,(H,33,36)/t15-,17+,19+/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189877
PNG
(US9670201, 5 3-cyano-N-(3-(1-isobutyrylpiperidin-4...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189927
PNG
(US9670201, 111 (R)-3-cyano-N-(1,4-dimethyl-3-(1-(3...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O2/c1-15-21(32-24(35)19-6-4-5-17(11-19)12-30)13-31-23-22(15)20(14-33(23)3)18-7-9-34(10-8-18)25(36)16(2)26(27,28)29/h4-6,11,13-14,16,18H,7-10H2,1-3H3,(H,32,35)/t16-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189909
PNG
(US9670201, 33 3-cyano-N-(3-(1-(2-fluoro-6-methylbe...)
Show SMILES Cc1cccc(F)c1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C30H28FN5O2/c1-18-6-4-9-24(31)26(18)30(38)36-12-10-21(11-13-36)23-17-35(3)28-27(23)19(2)25(16-33-28)34-29(37)22-8-5-7-20(14-22)15-32/h4-9,14,16-17,21H,10-13H2,1-3H3,(H,34,37)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190350
PNG
(US9670201, 97 rel-3-cyano-N-(3-((2S,4S,5S)-1-(cycl...)
Show SMILES C[C@@H]1CN([C@@H](C)CC1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(=O)C1CCCC1
Show InChI InChI=1S/C30H35N5O2/c1-18-16-35(30(37)22-9-5-6-10-22)19(2)12-24(18)25-17-34(4)28-27(25)20(3)26(15-32-28)33-29(36)23-11-7-8-21(13-23)14-31/h7-8,11,13,15,17-19,22,24H,5-6,9-10,12,16H2,1-4H3,(H,33,36)/t18-,19+,24?/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189907
PNG
(US9670201, 32 (R)-3-cyano-N-(1,4-dimethyl-3-(1-(2,...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(C)(C)C
Show InChI InChI=1S/C29H35N5O2/c1-18-24(32-27(35)22-9-7-8-20(14-22)15-30)16-31-26-25(18)23(17-33(26)6)21-10-12-34(13-11-21)28(36)19(2)29(3,4)5/h7-9,14,16-17,19,21H,10-13H2,1-6H3,(H,32,35)/t19-/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190345
PNG
(US9670201, 113 3-cyano-N-(3-((2S,4R)-1-isobutyryl-...)
Show SMILES CC(C)C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C27H31N5O2/c1-16(2)27(34)32-10-9-20(11-17(32)3)22-15-31(5)25-24(22)18(4)23(14-29-25)30-26(33)21-8-6-7-19(12-21)13-28/h6-8,12,14-17,20H,9-11H2,1-5H3,(H,30,33)/t17-,20+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190339
PNG
(US9670201, 90 3-cyano-N-(3-((2S,4R)-1-(cyclopentan...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN([C@@H](C)C3)C(=O)C3CCCC3)c2c1C)C#N
Show InChI InChI=1S/C30H35N5O3/c1-18-11-22(9-10-35(18)30(37)21-7-5-6-8-21)25-17-34(3)28-27(25)19(2)26(16-32-28)33-29(36)23-12-20(15-31)13-24(14-23)38-4/h12-14,16-18,21-22H,5-11H2,1-4H3,(H,33,36)/t18-,22+/m0/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190352
PNG
(US9670201, 99 3-cyano-N-(3-((1R,5S,8r)-3-(cyclopen...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3C4CC[C@H]3CN(C4)C(=O)C3CCCC3)c2c1C
Show InChI InChI=1S/C31H35N5O3/c1-18-25(34-30(37)20-10-11-26(39-3)23(12-20)13-32)14-33-29-27(18)24(17-35(29)2)28-21-8-9-22(28)16-36(15-21)31(38)19-6-4-5-7-19/h10-12,14,17,19,21-22,28H,4-9,15-16H2,1-3H3,(H,34,37)/t21-,22?,28?/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190316
PNG
(US9670201, 73 3-cyano-N-(3-((R)-2,2-dimethyl-1-((R...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C[C@@H](O)C(F)(F)F)C(C)(C)C3)c12
Show InChI InChI=1S/C28H30F3N5O3/c1-16-21(34-26(39)18-7-5-6-17(10-18)13-32)14-33-25-24(16)20(15-35(25)4)19-8-9-36(27(2,3)12-19)23(38)11-22(37)28(29,30)31/h5-7,10,14-15,19,22,37H,8-9,11-12H2,1-4H3,(H,34,39)/t19-,22-/m1/s1
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Pfizer Inc.

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Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190354
PNG
(US9670201, 100 3-cyano-N-(3-((1R*,4S*,5R*)-2-(cycl...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3C[C@H]4CC[C@@H]3CN4C(=O)C3CCCC3)c12
Show InChI InChI=1S/C30H33N5O2/c1-18-26(33-29(36)21-9-5-6-19(12-21)14-31)15-32-28-27(18)25(17-34(28)2)24-13-23-11-10-22(24)16-35(23)30(37)20-7-3-4-8-20/h5-6,9,12,15,17,20,22-24H,3-4,7-8,10-11,13,16H2,1-2H3,(H,33,36)/t22-,23-,24-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190347
PNG
(US9670201, 96 3-cyano-N-(3-(4-isobutyryl-4-azaspir...)
Show SMILES CC(C)C(=O)N1CCC(CC11CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C28H31N5O2/c1-17(2)27(35)33-11-8-21(13-28(33)9-10-28)22-16-32(4)25-24(22)18(3)23(15-30-25)31-26(34)20-7-5-6-19(12-20)14-29/h5-7,12,15-17,21H,8-11,13H2,1-4H3,(H,31,34)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190331
PNG
(US9670201, 112 3-cyano-N-(3-((3R,4R)-1-isobutyryl-...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C[C@@H]3C)C(=O)C(C)C)c2c1C
Show InChI InChI=1S/C28H33N5O3/c1-16(2)28(35)33-10-9-21(17(3)14-33)22-15-32(5)26-25(22)18(4)23(13-30-26)31-27(34)19-7-8-24(36-6)20(11-19)12-29/h7-8,11,13,15-17,21H,9-10,14H2,1-6H3,(H,31,34)/t17-,21+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190336
PNG
(US9670201, 88 3-cyano-N-(1,4-dimethyl-3-((3R,4R)-3...)
Show SMILES C[C@H](C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15-13-35(26(37)17(3)27(28,29)30)9-8-20(15)21-14-34(4)24-23(21)16(2)22(12-32-24)33-25(36)19-7-5-6-18(10-19)11-31/h5-7,10,12,14-15,17,20H,8-9,13H2,1-4H3,(H,33,36)/t15-,17+,20+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189922
PNG
(US9670201, 109 3-cyano-N-(1,4-dimethyl-3-(1-(3-met...)
Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C27H31N5O2/c1-17(2)12-24(33)32-10-8-20(9-11-32)22-16-31(4)26-25(22)18(3)23(15-29-26)30-27(34)21-7-5-6-19(13-21)14-28/h5-7,13,15-17,20H,8-12H2,1-4H3,(H,30,34)
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190340
PNG
(US9670201, 91 3-cyano-N-(1,4-dimethyl-3-((2S,4R)-2...)
Show SMILES C[C@@H](C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15-10-19(8-9-35(15)26(37)17(3)27(28,29)30)21-14-34(4)24-23(21)16(2)22(13-32-24)33-25(36)20-7-5-6-18(11-20)12-31/h5-7,11,13-15,17,19H,8-10H2,1-4H3,(H,33,36)/t15-,17-,19+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190327
PNG
(US9670201, 83 3-cyano-N-(3-((3R,4R)-1-(2-cycloprop...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(=O)CC1CC1
Show InChI InChI=1S/C28H31N5O2/c1-17-15-33(25(34)12-19-7-8-19)10-9-22(17)23-16-32(3)27-26(23)18(2)24(14-30-27)31-28(35)21-6-4-5-20(11-21)13-29/h4-6,11,14,16-17,19,22H,7-10,12,15H2,1-3H3,(H,31,35)/t17-,22+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190337
PNG
(US9670201, 89 3-cyano-N-(1,4-dimethyl-3-((3R,4R)-3...)
Show SMILES C[C@@H](C(=O)N1CCC([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15-13-35(26(37)17(3)27(28,29)30)9-8-20(15)21-14-34(4)24-23(21)16(2)22(12-32-24)33-25(36)19-7-5-6-18(10-19)11-31/h5-7,10,12,14-15,17,20H,8-9,13H2,1-4H3,(H,33,36)/t15-,17-,20?/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190342
PNG
(US9670201, 93 3-cyano-N-(1,4-dimethyl-3-((2S,4R)-2...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN([C@@H](C)C3)C(=O)[C@H](C)C(F)(F)F)c2c1C
Show InChI InChI=1S/C28H30F3N5O3/c1-15-10-18(8-9-36(15)27(38)17(3)28(29,30)31)21-14-35(4)25-24(21)16(2)22(13-33-25)34-26(37)19-6-7-23(39-5)20(11-19)12-32/h6-7,11,13-15,17-18H,8-10H2,1-5H3,(H,34,37)/t15-,17-,18+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190344
PNG
(US9670201, 94 3-cyano-N-(1,4-dimethyl-3-((2S,4R)-2...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN([C@@H](C)C3)C(=O)[C@@H](C)C(F)(F)F)c2c1C
Show InChI InChI=1S/C28H30F3N5O3/c1-15-10-18(8-9-36(15)27(38)17(3)28(29,30)31)21-14-35(4)25-24(21)16(2)22(13-33-25)34-26(37)19-6-7-23(39-5)20(11-19)12-32/h6-7,11,13-15,17-18H,8-10H2,1-5H3,(H,34,37)/t15-,17+,18+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190323
PNG
(US9670201, 79 3-cyano-N-{3-((1R,5S,8r)-3-(cyclopen...)
Show SMILES Cn1cc(C2[C@H]3CC[C@@H]2CN(C3)C(=O)C2CCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O2/c1-37-16-22(24-20-9-10-21(24)15-38(14-20)29(40)18-6-2-3-7-18)25-26(30(31,32)33)23(13-35-27(25)37)36-28(39)19-8-4-5-17(11-19)12-34/h4-5,8,11,13,16,18,20-21,24H,2-3,6-7,9-10,14-15H2,1H3,(H,36,39)/t20-,21+,24?
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190330
PNG
(US9670201, 85 3-cyano-N-(3-((3R,4R)-1-isobutyryl-3...)
Show SMILES CC(C)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C27H31N5O2/c1-16(2)27(34)32-10-9-21(17(3)14-32)22-15-31(5)25-24(22)18(4)23(13-29-25)30-26(33)20-8-6-7-19(11-20)12-28/h6-8,11,13,15-17,21H,9-10,14H2,1-5H3,(H,30,33)/t17-,21+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM189925
PNG
(US9670201, 44 (R)-3-cyano-N-(1,4-dimethyl-3-(1-(3,...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@@H](C)C(F)(F)F)c2c1C
Show InChI InChI=1S/C27H28F3N5O3/c1-15-21(33-25(36)18-5-6-22(38-4)19(11-18)12-31)13-32-24-23(15)20(14-34(24)3)17-7-9-35(10-8-17)26(37)16(2)27(28,29)30/h5-6,11,13-14,16-17H,7-10H2,1-4H3,(H,33,36)/t16-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190303
PNG
(US9670201, 64 (R)-3-cyano-N-(3-(1-(cyclopentanecar...)
Show SMILES Cc1c(NC(=O)c2cc(O)cc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c12
Show InChI InChI=1S/C30H35N5O3/c1-18-25(33-28(37)22-11-19(15-31)12-23(36)13-22)16-32-27-26(18)24(17-34(27)4)21-9-10-35(30(2,3)14-21)29(38)20-7-5-6-8-20/h11-13,16-17,20-21,36H,5-10,14H2,1-4H3,(H,33,37)/t21-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


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


(Homo sapiens (Human))
BDBM190351
PNG
(US9670201, 98 3-cyano-N-(3-((1R,5S,8r)-3-isobutyry...)
Show SMILES CC(C)C(=O)N1CC2CC[C@@H](C1)C2c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12
Show InChI InChI=1S/C28H31N5O2/c1-16(2)28(35)33-13-20-8-9-21(14-33)25(20)22-15-32(4)26-24(22)17(3)23(12-30-26)31-27(34)19-7-5-6-18(10-19)11-29/h5-7,10,12,15-16,20-21,25H,8-9,13-14H2,1-4H3,(H,31,34)/t20-,21?,25?/m0/s1
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Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%