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Patent code US10280144

Compile Data Set for Download or QSAR

Found 213 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))
BDBM383492
PNG
(N-[1-[5-(2,6-difluorophenyl)- 11,11-dimethyl-3,4- ...)
Show SMILES CCN([C@@H](C)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1coc(n1)C(C)(C)O
Show InChI InChI=1S/C28H32F2N4O3/c1-7-34(24(35)21-14-37-25(31-21)27(5,6)36)15(2)28-12-11-17(26(28,3)4)16-13-20(32-33-23(16)28)22-18(29)9-8-10-19(22)30/h8-10,13-15,17,36H,7,11-12H2,1-6H3/t15-,17-,28-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383479
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ncc(O)cn1
Show InChI InChI=1S/C25H25F2N5O2/c1-4-32(23(34)22-28-11-14(33)12-29-22)13-25-9-8-16(24(25,2)3)15-10-19(30-31-21(15)25)20-17(26)6-5-7-18(20)27/h5-7,10-12,16,33H,4,8-9,13H2,1-3H3/t16-,25-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383417
PNG
(1-(2,4-difluorophenyl)-N- (((5R,8S)-3-(2,6-difluor...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccc(F)cc1F
Show InChI InChI=1S/C27H27F4N3O2S/c1-4-34(37(35,36)14-16-8-9-17(28)12-22(16)31)15-27-11-10-19(26(27,2)3)18-13-23(32-33-25(18)27)24-20(29)6-5-7-21(24)30/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3/t19-,27-/m0/s1
PDB

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n/an/a 2.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383442
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccccc1F
Show InChI InChI=1S/C27H28F3N3O2S/c1-4-33(36(34,35)15-17-8-5-6-9-20(17)28)16-27-13-12-19(26(27,2)3)18-14-23(31-32-25(18)27)24-21(29)10-7-11-22(24)30/h5-11,14,19H,4,12-13,15-16H2,1-3H3/t19-,27-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383433
PNG
(1-(2,5-difluorophenyl)-N- (((5R,8S)-3-(2,6-difluor...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1cc(F)ccc1F
Show InChI InChI=1S/C27H27F4N3O2S/c1-4-34(37(35,36)14-16-12-17(28)8-9-20(16)29)15-27-11-10-19(26(27,2)3)18-13-23(32-33-25(18)27)24-21(30)6-5-7-22(24)31/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3/t19-,27-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383443
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C27H29F2N3O2S/c1-4-32(35(33,34)16-18-9-6-5-7-10-18)17-27-14-13-20(26(27,2)3)19-15-23(30-31-25(19)27)24-21(28)11-8-12-22(24)29/h5-12,15,20H,4,13-14,16-17H2,1-3H3/t20-,27-/m0/s1
PDB

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n/an/a 3.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383493
PNG
(N-[1-[5-(2,6-difluorophenyl)- 11,11-dimethyl-3,4- ...)
Show SMILES CCN([C@H](C)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1nc(C)oc1C
Show InChI InChI=1S/C27H30F2N4O2/c1-7-33(25(34)23-14(2)35-16(4)30-23)15(3)27-12-11-18(26(27,5)6)17-13-21(31-32-24(17)27)22-19(28)9-8-10-20(22)29/h8-10,13,15,18H,7,11-12H2,1-6H3/t15-,18+,27+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383431
PNG
(2-cyano-N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-di...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C27H26F2N4O2S/c1-4-33(36(34,35)23-11-6-5-8-17(23)15-30)16-27-13-12-19(26(27,2)3)18-14-22(31-32-25(18)27)24-20(28)9-7-10-21(24)29/h5-11,14,19H,4,12-13,16H2,1-3H3/t19-,27-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383469
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1cnc(C)o1
Show InChI InChI=1S/C25H26F2N4O2/c1-5-31(23(32)20-12-28-14(2)33-20)13-25-10-9-16(24(25,3)4)15-11-19(29-30-22(15)25)21-17(26)7-6-8-18(21)27/h6-8,11-12,16H,5,9-10,13H2,1-4H3/t16-,25-/m0/s1
PDB

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n/an/a 3.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383408
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C26H26F3N3O2S/c1-4-32(35(33,34)22-11-6-5-8-18(22)27)15-26-13-12-17(25(26,2)3)16-14-21(30-31-24(16)26)23-19(28)9-7-10-20(23)29/h5-11,14,17H,4,12-13,15H2,1-3H3/t17-,26-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383495
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1nc(co1)C(C)(C)O
Show InChI InChI=1S/C27H30F2N4O3/c1-6-33(24(34)23-30-20(13-36-23)26(4,5)35)14-27-11-10-16(25(27,2)3)15-12-19(31-32-22(15)27)21-17(28)8-7-9-18(21)29/h7-9,12-13,16,35H,6,10-11,14H2,1-5H3/t16-,27-/m0/s1
PDB

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n/an/a 4.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383473
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ccc(CS(C)(=O)=O)nn1
Show InChI InChI=1S/C27H29F2N5O3S/c1-5-34(25(35)21-10-9-16(30-31-21)14-38(4,36)37)15-27-12-11-18(26(27,2)3)17-13-22(32-33-24(17)27)23-19(28)7-6-8-20(23)29/h6-10,13,18H,5,11-12,14-15H2,1-4H3/t18-,27-/m0/s1
PDB

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Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383449
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](\C(=C\C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1ncco1
Show InChI InChI=1S/C24H26F2N4O2/c1-4-30(22(31)21-29-10-11-32-21)13-24-9-8-15(23(24,2)3)14(20(24)28)12-18(27)19-16(25)6-5-7-17(19)26/h5-7,10-12,15,27-28H,4,8-9,13H2,1-3H3/b14-12-,27-18?,28-20?/t15-,24-/m0/s1
PDB

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n/an/a 4.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383405
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1cccc(F)c1
Show InChI InChI=1S/C27H28F3N3O2S/c1-4-33(36(34,35)15-17-7-5-8-18(28)13-17)16-27-12-11-20(26(27,2)3)19-14-23(31-32-25(19)27)24-21(29)9-6-10-22(24)30/h5-10,13-14,20H,4,11-12,15-16H2,1-3H3/t20-,27-/m0/s1
PDB

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n/an/a 4.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383487
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ncc(o1)C(C)(C)O
Show InChI InChI=1S/C27H30F2N4O3/c1-6-33(24(34)23-30-13-20(36-23)26(4,5)35)14-27-11-10-16(25(27,2)3)15-12-19(31-32-22(15)27)21-17(28)8-7-9-18(21)29/h7-9,12-13,16,35H,6,10-11,14H2,1-5H3/t16-,27-/m0/s1
PDB

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n/an/a 5.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383418
PNG
(N-(4-(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dime...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C28H30F2N4O3S/c1-5-34(38(36,37)19-11-9-18(10-12-19)31-17(2)35)16-28-14-13-21(27(28,3)4)20-15-24(32-33-26(20)28)25-22(29)7-6-8-23(25)30/h6-12,15,21H,5,13-14,16H2,1-4H3,(H,31,35)/t21-,28-/m0/s1
PDB

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Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383390
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1cocn1
Show InChI InChI=1S/C24H24F2N4O2/c1-4-30(22(31)19-11-32-13-27-19)12-24-9-8-15(23(24,2)3)14-10-18(28-29-21(14)24)20-16(25)6-5-7-17(20)26/h5-7,10-11,13,15H,4,8-9,12H2,1-3H3/t15-,24-/m0/s1
PDB

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Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383367
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1cc(n(C)n1)C(F)(F)F
Show InChI InChI=1S/C26H26F5N5O/c1-5-36(23(37)19-12-20(26(29,30)31)35(4)34-19)13-25-10-9-15(24(25,2)3)14-11-18(32-33-22(14)25)21-16(27)7-6-8-17(21)28/h6-8,11-12,15H,5,9-10,13H2,1-4H3/t15-,25-/m0/s1
PDB

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n/an/a 5.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383471
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1coc(CO)n1
Show InChI InChI=1S/C25H26F2N4O3/c1-4-31(23(33)19-12-34-20(11-32)28-19)13-25-9-8-15(24(25,2)3)14-10-18(29-30-22(14)25)21-16(26)6-5-7-17(21)27/h5-7,10,12,15,32H,4,8-9,11,13H2,1-3H3/t15-,25-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383422
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1c(F)cccc1F
Show InChI InChI=1S/C26H25F4N3O2S/c1-4-33(36(34,35)23-19(29)9-6-10-20(23)30)14-26-12-11-16(25(26,2)3)15-13-21(31-32-24(15)26)22-17(27)7-5-8-18(22)28/h5-10,13,16H,4,11-12,14H2,1-3H3/t16-,26-/m0/s1
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n/an/a 5.64n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383461
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](\C(=C\C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1nocc1C
Show InChI InChI=1S/C25H28F2N4O2/c1-5-31(23(32)21-14(2)12-33-30-21)13-25-10-9-16(24(25,3)4)15(22(25)29)11-19(28)20-17(26)7-6-8-18(20)27/h6-8,11-12,16,28-29H,5,9-10,13H2,1-4H3/b15-11-,28-19?,29-22?/t16-,25-/m0/s1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383421
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccc(NC(N)=O)cc1
Show InChI InChI=1S/C27H29F2N5O3S/c1-4-34(38(36,37)17-10-8-16(9-11-17)31-25(30)35)15-27-13-12-19(26(27,2)3)18-14-22(32-33-24(18)27)23-20(28)6-5-7-21(23)29/h5-11,14,19H,4,12-13,15H2,1-3H3,(H3,30,31,35)/t19-,27-/m0/s1
PDB

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n/an/a 6.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383491
PNG
(N-[1-[5-(2,6-difluorophenyl)- 11,11-dimethyl-3,4- ...)
Show SMILES CCN([C@H](C)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1coc(n1)C(C)(C)O
Show InChI InChI=1S/C28H32F2N4O3/c1-7-34(24(35)21-14-37-25(31-21)27(5,6)36)15(2)28-12-11-17(26(28,3)4)16-13-20(32-33-23(16)28)22-18(29)9-8-10-19(22)30/h8-10,13-15,17,36H,7,11-12H2,1-6H3/t15-,17+,28+/m1/s1
PDB

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n/an/a 6.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383399
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1cnn(CC)c1C
Show InChI InChI=1S/C26H31F2N5O2S/c1-6-32(36(34,35)22-14-29-33(7-2)16(22)3)15-26-12-11-18(25(26,4)5)17-13-21(30-31-24(17)26)23-19(27)9-8-10-20(23)28/h8-10,13-14,18H,6-7,11-12,15H2,1-5H3/t18-,26-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383376
PNG
(4-(5-cyclopropyl-1,2,4-oxadiazol- 3-yl)-N-(((5R,8S...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ccc(cc1)-c1noc(n1)C1CC1
Show InChI InChI=1S/C32H31F2N5O2/c1-4-39(30(40)20-12-8-18(9-13-20)28-35-29(41-38-28)19-10-11-19)17-32-15-14-22(31(32,2)3)21-16-25(36-37-27(21)32)26-23(33)6-5-7-24(26)34/h5-9,12-13,16,19,22H,4,10-11,14-15,17H2,1-3H3/t22-,32-/m0/s1
PDB

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n/an/a 6.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383396
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1cc(CO)on1
Show InChI InChI=1S/C25H26F2N4O3/c1-4-31(23(33)20-10-14(12-32)34-30-20)13-25-9-8-16(24(25,2)3)15-11-19(28-29-22(15)25)21-17(26)6-5-7-18(21)27/h5-7,10-11,16,32H,4,8-9,12-13H2,1-3H3/t16-,25-/m0/s1
PDB

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n/an/a 6.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383412
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)C1CC1
Show InChI InChI=1S/C23H27F2N3O2S/c1-4-28(31(29,30)14-8-9-14)13-23-11-10-16(22(23,2)3)15-12-19(26-27-21(15)23)20-17(24)6-5-7-18(20)25/h5-7,12,14,16H,4,8-11,13H2,1-3H3/t16-,23-/m0/s1
PDB

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n/an/a 7.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383455
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](\C(=C\C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1ncc(C)o1
Show InChI InChI=1S/C25H28F2N4O2/c1-5-31(23(32)22-30-12-14(2)33-22)13-25-10-9-16(24(25,3)4)15(21(25)29)11-19(28)20-17(26)7-6-8-18(20)27/h6-8,11-12,16,28-29H,5,9-10,13H2,1-4H3/b15-11-,28-19?,29-21?/t16-,25-/m0/s1
PDB

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n/an/a 7.70n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383456
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](\C(=C\C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1nc(C)co1
Show InChI InChI=1S/C25H28F2N4O2/c1-5-31(23(32)22-30-14(2)12-33-22)13-25-10-9-16(24(25,3)4)15(21(25)29)11-19(28)20-17(26)7-6-8-18(20)27/h6-8,11-12,16,28-29H,5,9-10,13H2,1-4H3/b15-11-,28-19?,29-21?/t16-,25-/m0/s1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383430
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1cc(F)ccc1F
Show InChI InChI=1S/C26H25F4N3O2S/c1-4-33(36(34,35)22-12-15(27)8-9-18(22)28)14-26-11-10-17(25(26,2)3)16-13-21(31-32-24(16)26)23-19(29)6-5-7-20(23)30/h5-9,12-13,17H,4,10-11,14H2,1-3H3/t17-,26-/m0/s1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383478
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ncc(cn1)C(C)(C)O
Show InChI InChI=1S/C28H31F2N5O2/c1-6-35(25(36)24-31-13-16(14-32-24)27(4,5)37)15-28-11-10-18(26(28,2)3)17-12-21(33-34-23(17)28)22-19(29)8-7-9-20(22)30/h7-9,12-14,18,37H,6,10-11,15H2,1-5H3/t18-,28-/m0/s1
PDB

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n/an/a 8.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383425
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccc(NC(=O)NC)cc1
Show InChI InChI=1S/C28H31F2N5O3S/c1-5-35(39(37,38)18-11-9-17(10-12-18)32-26(36)31-4)16-28-14-13-20(27(28,2)3)19-15-23(33-34-25(19)28)24-21(29)7-6-8-22(24)30/h6-12,15,20H,5,13-14,16H2,1-4H3,(H2,31,32,36)/t20-,28-/m0/s1
PDB

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n/an/a 8.70n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383450
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](\C(=C\C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1ncoc1C
Show InChI InChI=1S/C25H28F2N4O2/c1-5-31(23(32)21-14(2)33-13-30-21)12-25-10-9-16(24(25,3)4)15(22(25)29)11-19(28)20-17(26)7-6-8-18(20)27/h6-8,11,13,16,28-29H,5,9-10,12H2,1-4H3/b15-11-,28-19?,29-22?/t16-,25-/m0/s1
PDB

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n/an/a 8.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383206
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1cc(C)no1
Show InChI InChI=1S/C25H26F2N4O2/c1-5-31(23(32)20-11-14(2)30-33-20)13-25-10-9-16(24(25,3)4)15-12-19(28-29-22(15)25)21-17(26)7-6-8-18(21)27/h6-8,11-12,16H,5,9-10,13H2,1-4H3/t16-,25-/m0/s1
PDB

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



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383406
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C26H25F4N3O2S/c1-4-33(36(34,35)22-9-8-15(27)12-20(22)30)14-26-11-10-17(25(26,2)3)16-13-21(31-32-24(16)26)23-18(28)6-5-7-19(23)29/h5-9,12-13,17H,4,10-11,14H2,1-3H3/t17-,26-/m0/s1
PDB

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n/an/a 9.10n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383333
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1n[nH]c2cc(F)ccc12
Show InChI InChI=1/C28H26F3N5O/c1-4-36(26(37)24-16-9-8-15(29)12-21(16)32-34-24)14-28-11-10-18(27(28,2)3)17-13-22(33-35-25(17)28)23-19(30)6-5-7-20(23)31/h5-9,12-13,18H,4,10-11,14H2,1-3H3,(H,32,34)/t18-,28-/s2
PDB

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n/an/a 9.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383429
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccccn1
Show InChI InChI=1S/C26H28F2N4O2S/c1-4-32(35(33,34)15-17-8-5-6-13-29-17)16-26-12-11-19(25(26,2)3)18-14-22(30-31-24(18)26)23-20(27)9-7-10-21(23)28/h5-10,13-14,19H,4,11-12,15-16H2,1-3H3/t19-,26-/m0/s1
PDB

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n/an/a 9.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383400
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1c(C)noc1C
Show InChI InChI=1S/C25H28F2N4O3S/c1-6-31(35(32,33)22-14(2)30-34-15(22)3)13-25-11-10-17(24(25,4)5)16-12-20(28-29-23(16)25)21-18(26)8-7-9-19(21)27/h7-9,12,17H,6,10-11,13H2,1-5H3/t17-,25-/m0/s1
PDB

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n/an/a 9.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383414
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H27F2N3O2S/c1-4-31(34(32,33)17-9-6-5-7-10-17)16-26-14-13-19(25(26,2)3)18-15-22(29-30-24(18)26)23-20(27)11-8-12-21(23)28/h5-12,15,19H,4,13-14,16H2,1-3H3/t19-,26-/m0/s1
PDB

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n/an/a 9.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383211
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES Cc1cc(no1)C(=O)N(CCF)C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C25H25F3N4O2/c1-14-11-20(31-34-14)23(33)32(10-9-26)13-25-8-7-16(24(25,2)3)15-12-19(29-30-22(15)25)21-17(27)5-4-6-18(21)28/h4-6,11-12,16H,7-10,13H2,1-3H3/t16-,25-/m0/s1
PDB

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n/an/a 9.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383370
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1cc(on1)-c1cn(C)nc1C
Show InChI InChI=1S/C29H30F2N6O2/c1-6-37(27(38)23-13-24(39-35-23)18-14-36(5)34-16(18)2)15-29-11-10-19(28(29,3)4)17-12-22(32-33-26(17)29)25-20(30)8-7-9-21(25)31/h7-9,12-14,19H,6,10-11,15H2,1-5H3/t19-,29-/m0/s1
PDB

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n/an/a 10.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383402
PNG
(4-cyano-N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-di...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H26F2N4O2S/c1-4-33(36(34,35)18-10-8-17(15-30)9-11-18)16-27-13-12-20(26(27,2)3)19-14-23(31-32-25(19)27)24-21(28)6-5-7-22(24)29/h5-11,14,20H,4,12-13,16H2,1-3H3/t20-,27-/m0/s1
PDB

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n/an/a 10.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383428
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccncc1
Show InChI InChI=1S/C26H28F2N4O2S/c1-4-32(35(33,34)15-17-9-12-29-13-10-17)16-26-11-8-19(25(26,2)3)18-14-22(30-31-24(18)26)23-20(27)6-5-7-21(23)28/h5-7,9-10,12-14,19H,4,8,11,15-16H2,1-3H3/t19-,26-/m0/s1
PDB

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n/an/a 10.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383420
PNG
(4-(difluoromethoxy)-N- (((5R,8S)-3-(2,6-difluoroph...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C27H27F4N3O3S/c1-4-34(38(35,36)17-10-8-16(9-11-17)37-25(30)31)15-27-13-12-19(26(27,2)3)18-14-22(32-33-24(18)27)23-20(28)6-5-7-21(23)29/h5-11,14,19,25H,4,12-13,15H2,1-3H3/t19-,27-/m0/s1
PDB

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n/an/a 10.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383476
PNG
(N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1nnccc1C
Show InChI InChI=1S/C26H27F2N5O/c1-5-33(24(34)22-15(2)10-12-29-31-22)14-26-11-9-17(25(26,3)4)16-13-20(30-32-23(16)26)21-18(27)7-6-8-19(21)28/h6-8,10,12-13,17H,5,9,11,14H2,1-4H3/t17-,26-/m0/s1
PDB

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n/an/a 11n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383419
PNG
(1-(difluoromethyl)-N-(((5R,8S)- 3-(2,6-difluorophe...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1cn(nc1C)C(F)F
Show InChI InChI=1S/C25H27F4N5O2S/c1-5-33(37(35,36)20-12-34(23(28)29)32-14(20)2)13-25-10-9-16(24(25,3)4)15-11-19(30-31-22(15)25)21-17(26)7-6-8-18(21)27/h6-8,11-12,16,23H,5,9-10,13H2,1-4H3/t16-,25-/m0/s1
PDB

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n/an/a 11n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383434
PNG
(3-cyano-N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-di...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C27H26F2N4O2S/c1-4-33(36(34,35)18-8-5-7-17(13-18)15-30)16-27-12-11-20(26(27,2)3)19-14-23(31-32-25(19)27)24-21(28)9-6-10-22(24)29/h5-10,13-14,20H,4,11-12,16H2,1-3H3/t20-,27-/m0/s1
PDB

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n/an/a 11.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383349
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ccnnc1
Show InChI InChI=1S/C25H25F2N5O/c1-4-32(23(33)15-9-11-28-29-13-15)14-25-10-8-17(24(25,2)3)16-12-20(30-31-22(16)25)21-18(26)6-5-7-19(21)27/h5-7,9,11-13,17H,4,8,10,14H2,1-3H3/t17-,25-/m0/s1
PDB

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n/an/a 11.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383212
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1coc(C)n1
Show InChI InChI=1S/C25H26F2N4O2/c1-5-31(23(32)20-12-33-14(2)28-20)13-25-10-9-16(24(25,3)4)15-11-19(29-30-22(15)25)21-17(26)7-6-8-18(21)27/h6-8,11-12,16H,5,9-10,13H2,1-4H3/t16-,25-/m0/s1
PDB

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n/an/a 11.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

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


(Homo sapiens (Human))
BDBM383444
PNG
(N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...)
Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)Cn1cncn1
Show InChI InChI=1S/C24H26F2N6O/c1-4-31(20(33)11-32-14-27-13-28-32)12-24-9-8-16(23(24,2)3)15-10-19(29-30-22(15)24)21-17(25)6-5-7-18(21)26/h5-7,10,13-14,16H,4,8-9,11-12H2,1-3H3/t16-,24-/m0/s1
PDB

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n/an/a 12n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...


US Patent US10280144 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 213 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%