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Compile Data Set for Download or QSAR

Found 13587 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma (RORC)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM504229
PNG
(N-[2-[(2R)-2-Fluoro-3-hydroxy- 3-methyl-butyl]-6-i...)
Show SMILES CC(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C23H26FN5O4/c1-13(2)33-18-9-15-14(11-28(22(15)31)12-19(24)23(3,4)32)8-17(18)27-21(30)16-10-26-29-7-5-6-25-20(16)29/h5-10,13,19,32H,11-12H2,1-4H3,(H,27,30)/t19-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504219
PNG
((R)-N-(6-(2,2-Difluoroethoxy)- 2-(2-fluoro-3-hydro...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)F)cc2C1=O
Show InChI InChI=1S/C22H22F3N5O4/c1-22(2,33)17(23)10-29-9-12-6-15(16(34-11-18(24)25)7-13(12)21(29)32)28-20(31)14-8-27-30-5-3-4-26-19(14)30/h3-8,17-18,33H,9-11H2,1-2H3,(H,28,31)/t17-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504215
PNG
(N-[6-(3-Fluorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3C[C@H](F)C3)cc2C1=O
Show InChI InChI=1S/C24H25F2N5O4/c1-24(2,34)20(26)12-30-11-13-6-18(19(9-16(13)23(30)33)35-15-7-14(25)8-15)29-22(32)17-10-28-31-5-3-4-27-21(17)31/h3-6,9-10,14-15,20,34H,7-8,11-12H2,1-2H3,(H,29,32)/t14-,15+,20-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504233
PNG
((R)-N-(6-Ethoxy-2-(2-fluoro-3- hydroxy-3-methylbut...)
Show SMILES CCOc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C22H24FN5O4/c1-4-32-17-9-14-13(11-27(21(14)30)12-18(23)22(2,3)31)8-16(17)26-20(29)15-10-25-28-7-5-6-24-19(15)28/h5-10,18,31H,4,11-12H2,1-3H3,(H,26,29)/t18-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504232
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-iso...)
Show SMILES CC(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cc(C)cnc12
Show InChI InChI=1S/C24H28FN5O4/c1-13(2)34-19-7-16-15(11-29(23(16)32)12-20(25)24(4,5)33)6-18(19)28-22(31)17-9-27-30-10-14(3)8-26-21(17)30/h6-10,13,20,33H,11-12H2,1-5H3,(H,28,31)/t20-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504234
PNG
(US11034698, Example 83 | US11034698, Example 84)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCOC3)cc2C1=O
Show InChI InChI=1S/C24H26FN5O5/c1-24(2,33)20(25)12-29-11-14-8-18(19(9-16(14)23(29)32)35-15-4-7-34-13-15)28-22(31)17-10-27-30-6-3-5-26-21(17)30/h3,5-6,8-10,15,20,33H,4,7,11-13H2,1-2H3,(H,28,31)/t15-,20-/m1/s1
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0.490n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504239
PNG
((R)-N-(6-(Difluoromethoxy)-2- (2-fluoro-3-hydroxy-...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2C1=O
Show InChI InChI=1S/C21H20F3N5O4/c1-21(2,32)16(22)10-28-9-11-6-14(15(33-20(23)24)7-12(11)19(28)31)27-18(30)13-8-26-29-5-3-4-25-17(13)29/h3-8,16,20,32H,9-10H2,1-2H3,(H,27,30)/t16-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504218
PNG
(N-[6-(3-Chlorocyclobutoxy)-2- [(2R)-2-fluoro-3-hyd...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3C[C@H](Cl)C3)cc2C1=O
Show InChI InChI=1S/C24H25ClFN5O4/c1-24(2,34)20(26)12-30-11-13-6-18(19(9-16(13)23(30)33)35-15-7-14(25)8-15)29-22(32)17-10-28-31-5-3-4-27-21(17)31/h3-6,9-10,14-15,20,34H,7-8,11-12H2,1-2H3,(H,29,32)/t14-,15+,20-/m1/s1
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0.510n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504238
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(ox...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3COC3)cc2C1=O
Show InChI InChI=1S/C23H24FN5O5/c1-23(2,32)19(24)10-28-9-13-6-17(18(7-15(13)22(28)31)34-14-11-33-12-14)27-21(30)16-8-26-29-5-3-4-25-20(16)29/h3-8,14,19,32H,9-12H2,1-2H3,(H,27,30)/t19-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504241
PNG
((R)-N-(6-(tert-Butoxy)-2-(2- fluoro-3-hydroxy-3- m...)
Show SMILES CC(C)(C)Oc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C24H28FN5O4/c1-23(2,3)34-18-10-15-14(12-29(22(15)32)13-19(25)24(4,5)33)9-17(18)28-21(31)16-11-27-30-8-6-7-26-20(16)30/h6-11,19,33H,12-13H2,1-5H3,(H,28,31)/t19-/m1/s1
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0.610n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504228
PNG
((R)-N-(6-Cyclopropoxy-2-(2- fluoro-3-hydroxy-3- me...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CC3)cc2C1=O
Show InChI InChI=1S/C23H24FN5O4/c1-23(2,32)19(24)12-28-11-13-8-17(18(33-14-4-5-14)9-15(13)22(28)31)27-21(30)16-10-26-29-7-3-6-25-20(16)29/h3,6-10,14,19,32H,4-5,11-12H2,1-2H3,(H,27,30)/t19-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504267
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)(F)F)cc2C1=O
Show InChI InChI=1S/C22H21F4N5O4/c1-21(2,34)17(23)10-30-9-12-6-15(16(7-13(12)20(30)33)35-11-22(24,25)26)29-19(32)14-8-28-31-5-3-4-27-18(14)31/h3-8,17,34H,9-11H2,1-2H3,(H,29,32)/t17-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504220
PNG
(US11034698, Example 66 | US11034698, Example 67)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@@H](O)C3)cc2C1=O
Show InChI InChI=1S/C25H28FN5O5/c1-25(2,35)21(26)13-30-12-14-8-19(29-23(33)18-11-28-31-7-3-6-27-22(18)31)20(10-17(14)24(30)34)36-16-5-4-15(32)9-16/h3,6-8,10-11,15-16,21,32,35H,4-5,9,12-13H2,1-2H3,(H,29,33)/t15-,16+,21-/m1/s1
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0.670n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504224
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCNCC3)cc2C1=O
Show InChI InChI=1S/C25H29FN6O4/c1-25(2,35)21(26)14-31-13-15-10-19(30-23(33)18-12-29-32-9-3-6-28-22(18)32)20(11-17(15)24(31)34)36-16-4-7-27-8-5-16/h3,6,9-12,16,21,27,35H,4-5,7-8,13-14H2,1-2H3,(H,30,33)/t21-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504234
PNG
(US11034698, Example 83 | US11034698, Example 84)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCOC3)cc2C1=O
Show InChI InChI=1S/C24H26FN5O5/c1-24(2,33)20(25)12-29-11-14-8-18(19(9-16(14)23(29)32)35-15-4-7-34-13-15)28-22(31)17-10-27-30-6-3-5-26-21(17)30/h3,5-6,8-10,15,20,33H,4,7,11-13H2,1-2H3,(H,28,31)/t15-,20-/m1/s1
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0.710n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504202
PNG
((R)-N-(6-Methoxy-2,2-dimethyl- 2,3-dihydrobenzofur...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
Show InChI InChI=1S/C23H28N6O3/c1-23(2)11-14-9-17(19(31-3)10-18(14)32-23)27-22(30)16-13-25-29-8-6-20(28-21(16)29)26-15-5-4-7-24-12-15/h6,8-10,13,15,24H,4-5,7,11-12H2,1-3H3,(H,26,28)(H,27,30)/t15-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504231
PNG
((R)-N-(6-(Cyclopentyloxy)-2-(2- fluoro-3-hydroxy-3...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCCC3)cc2C1=O
Show InChI InChI=1S/C25H28FN5O4/c1-25(2,34)21(26)14-30-13-15-10-19(20(11-17(15)24(30)33)35-16-6-3-4-7-16)29-23(32)18-12-28-31-9-5-8-27-22(18)31/h5,8-12,16,21,34H,3-4,6-7,13-14H2,1-2H3,(H,29,32)/t21-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504230
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(ox...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3COC3)cc2C1=O
Show InChI InChI=1S/C24H26FN5O5/c1-24(2,33)20(25)10-29-9-15-6-18(19(7-16(15)23(29)32)35-13-14-11-34-12-14)28-22(31)17-8-27-30-5-3-4-26-21(17)30/h3-8,14,20,33H,9-13H2,1-2H3,(H,28,31)/t20-/m1/s1
PDB

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0.970n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504225
PNG
(US11034698, Example 71 | US11034698, Example 72)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CNC(=O)C3)cc2C1=O
Show InChI InChI=1S/C25H27FN6O5/c1-25(2,36)20(26)12-31-11-15-7-18(30-23(34)17-10-29-32-5-3-4-27-22(17)32)19(8-16(15)24(31)35)37-13-14-6-21(33)28-9-14/h3-5,7-8,10,14,20,36H,6,9,11-13H2,1-2H3,(H,28,33)(H,30,34)/t14-,20+/m0/s1
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1n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504214
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((1...)
Show SMILES Cn1cc(COc2cc3C(=O)N(C[C@@H](F)C(C)(C)O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1
Show InChI InChI=1S/C25H26FN7O4/c1-25(2,36)21(26)13-32-12-16-7-19(30-23(34)18-10-29-33-6-4-5-27-22(18)33)20(8-17(16)24(32)35)37-14-15-9-28-31(3)11-15/h4-11,21,36H,12-14H2,1-3H3,(H,30,34)/t21-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504220
PNG
(US11034698, Example 66 | US11034698, Example 67)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@H]3CC[C@@H](O)C3)cc2C1=O
Show InChI InChI=1S/C25H28FN5O5/c1-25(2,35)21(26)13-30-12-14-8-19(29-23(33)18-11-28-31-7-3-6-27-22(18)31)20(10-17(14)24(30)34)36-16-5-4-15(32)9-16/h3,6-8,10-11,15-16,21,32,35H,4-5,9,12-13H2,1-2H3,(H,29,33)/t15-,16+,21-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504258
PNG
(N-(2-((R)-2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((7...)
Show SMILES CO[C@H]1C[C@@H]2CN(CCN2C1)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C28H34FN7O4/c1-28(2,39)24(29)16-35-13-17-9-22(32-26(37)21-12-31-36-6-4-5-30-25(21)36)23(11-20(17)27(35)38)34-8-7-33-15-19(40-3)10-18(33)14-34/h4-6,9,11-12,18-19,24,39H,7-8,10,13-16H2,1-3H3,(H,32,37)/t18-,19+,24-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504240
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((1...)
Show SMILES Cn1cc(Oc2cc3C(=O)N(C[C@@H](F)C(C)(C)O)Cc3cc2NC(=O)c2cnn3cccnc23)cn1
Show InChI InChI=1S/C24H24FN7O4/c1-24(2,35)20(25)13-31-11-14-7-18(29-22(33)17-10-28-32-6-4-5-26-21(17)32)19(8-16(14)23(31)34)36-15-9-27-30(3)12-15/h4-10,12,20,35H,11,13H2,1-3H3,(H,29,33)/t20-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504237
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-met...)
Show SMILES COc1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H22FN5O4/c1-21(2,30)17(22)11-26-10-12-7-15(16(31-3)8-13(12)20(26)29)25-19(28)14-9-24-27-6-4-5-23-18(14)27/h4-9,17,30H,10-11H2,1-3H3,(H,25,28)/t17-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504247
PNG
((R)-N-(6-(4-(2,2- Difluoroethyl)piperidin-1-yl)-2-...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCC(CC(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O3/c1-27(2,39)22(28)15-35-14-17-11-20(33-25(37)19-13-32-36-7-3-6-31-24(19)36)21(12-18(17)26(35)38)34-8-4-16(5-9-34)10-23(29)30/h3,6-7,11-13,16,22-23,39H,4-5,8-10,14-15H2,1-2H3,(H,33,37)/t22-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504222
PNG
(US11034698, Example 68 | US11034698, Example 69)
Show SMILES CC(C)Oc1cc2C(=O)N(Cc2cc1NC(=O)c1cnn2cccnc12)[C@H]1CCOC1
Show InChI InChI=1S/C22H23N5O4/c1-13(2)31-19-9-16-14(11-26(22(16)29)15-4-7-30-12-15)8-18(19)25-21(28)17-10-24-27-6-3-5-23-20(17)27/h3,5-6,8-10,13,15H,4,7,11-12H2,1-2H3,(H,25,28)/t15-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504250
PNG
(N-(2-((R)-2-Fluoro-3-hydroxy- 3-methylbutyl)-6-((R...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN2CCC[C@@H]2C1
Show InChI InChI=1S/C27H32FN7O3/c1-27(2,38)23(28)16-34-14-17-11-21(31-25(36)20-13-30-35-8-4-6-29-24(20)35)22(12-19(17)26(34)37)33-10-9-32-7-3-5-18(32)15-33/h4,6,8,11-13,18,23,38H,3,5,7,9-10,14-16H2,1-2H3,(H,31,36)/t18-,23-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504236
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CCOCC3)cc2C1=O
Show InChI InChI=1S/C25H28FN5O5/c1-25(2,34)21(26)14-30-13-15-10-19(29-23(32)18-12-28-31-7-3-6-27-22(18)31)20(11-17(15)24(30)33)36-16-4-8-35-9-5-16/h3,6-7,10-12,16,21,34H,4-5,8-9,13-14H2,1-2H3,(H,29,32)/t21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504246
PNG
(N-[6-(Dimethylamino)-2- isopropyl-1-oxo-isoindolin...)
Show SMILES CC(C)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N(C)C
Show InChI InChI=1S/C20H22N6O2/c1-12(2)25-11-13-8-16(17(24(3)4)9-14(13)20(25)28)23-19(27)15-10-22-26-7-5-6-21-18(15)26/h5-10,12H,11H2,1-4H3,(H,23,27)
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1.90n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504256
PNG
((R)-N-(6-(4-(2-(1H-Imidazol-1- yl)ethyl)piperazin-...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CCn2ccnc2)CC1
Show InChI InChI=1S/C29H34FN9O3/c1-29(2,42)25(30)18-38-17-20-14-23(34-27(40)22-16-33-39-6-3-4-32-26(22)39)24(15-21(20)28(38)41)37-12-10-35(11-13-37)8-9-36-7-5-31-19-36/h3-7,14-16,19,25,42H,8-13,17-18H2,1-2H3,(H,34,40)/t25-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504173
PNG
(N-(6-(4-((4-Chloro-1H- imidazol-5-yl)methyl)pipera...)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(Cc2[nH]cnc2Cl)CC1
Show InChI InChI=1S/C25H27ClN8O2/c1-25(2)12-16-10-18(31-24(35)17-13-30-34-5-3-4-27-23(17)34)20(11-21(16)36-25)33-8-6-32(7-9-33)14-19-22(26)29-15-28-19/h3-5,10-11,13,15H,6-9,12,14H2,1-2H3,(H,28,29)(H,31,35)
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2.30n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504222
PNG
(US11034698, Example 68 | US11034698, Example 69)
Show SMILES CC(C)Oc1cc2C(=O)N(Cc2cc1NC(=O)c1cnn2cccnc12)[C@H]1CCOC1
Show InChI InChI=1S/C22H23N5O4/c1-13(2)31-19-9-16-14(11-26(22(16)29)15-4-7-30-12-15)8-18(19)25-21(28)17-10-24-27-6-3-5-23-20(17)27/h3,5-6,8-10,13,15H,4,7,11-12H2,1-2H3,(H,25,28)/t15-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504259
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-1-oxo...)
Show SMILES CC(F)(F)CN1CCN(CC1)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C27H32F3N7O3/c1-26(2,40)22(28)15-36-14-17-11-20(33-24(38)19-13-32-37-6-4-5-31-23(19)37)21(12-18(17)25(36)39)35-9-7-34(8-10-35)16-27(3,29)30/h4-6,11-13,22,40H,7-10,14-16H2,1-3H3,(H,33,38)/t22-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504262
PNG
((R)-N-(2-(2-Fluoro-3-hydroxy- 3-methylbutyl)-6-(4-...)
Show SMILES COCCN1CCN(CC1)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C27H34FN7O4/c1-27(2,38)23(28)17-34-16-18-13-21(31-25(36)20-15-30-35-6-4-5-29-24(20)35)22(14-19(18)26(34)37)33-9-7-32(8-10-33)11-12-39-3/h4-6,13-15,23,38H,7-12,16-17H2,1-3H3,(H,31,36)/t23-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504225
PNG
(US11034698, Example 71 | US11034698, Example 72)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC[C@@H]3CNC(=O)C3)cc2C1=O
Show InChI InChI=1S/C25H27FN6O5/c1-25(2,36)20(26)12-31-11-15-7-18(30-23(34)17-10-29-32-5-3-4-27-22(17)32)19(8-16(15)24(31)35)37-13-14-6-21(33)28-9-14/h3-5,7-8,10,14,20,36H,6,9,11-13H2,1-2H3,(H,28,33)(H,30,34)/t14-,20+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504205
PNG
(5-((2-Aminoethyl)amino)-N-(6- methoxy-2,2-dimethyl...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C20H24N6O3/c1-20(2)10-12-8-14(16(28-3)9-15(12)29-20)24-19(27)13-11-23-26-7-4-17(22-6-5-21)25-18(13)26/h4,7-9,11H,5-6,10,21H2,1-3H3,(H,22,25)(H,24,27)
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3.20n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM498079
PNG
((5'S)-N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(s4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C27H31F3N4O4S3/c1-4-41(36,37)20-6-5-19(31-14-20)13-32-24(35)21-12-18-11-16(2)38-26(23(18)39-21)7-9-34(10-8-26)17(3)22-15-33-25(40-22)27(28,29)30/h5-6,12,14-17H,4,7-11,13H2,1-3H3,(H,32,35)/t16-,17?/m0/s1
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3.27n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...


US Patent US11008336 (2021)

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


(Homo sapiens (Human))
BDBM50511348
PNG
(CHEMBL4566431 | US11034698, Example 105)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H32FN7O4/c1-27(2,38)23(28)14-34-13-17-10-21(31-25(36)20-12-30-35-5-3-4-29-24(20)35)22(11-19(17)26(34)37)33-8-6-32(7-9-33)18-15-39-16-18/h3-5,10-12,18,23,38H,6-9,13-16H2,1-2H3,(H,31,36)/t23-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504227
PNG
(N-[6-(Azetidin-3-yloxy)-2- [(2R)-2-fluoro-3-hydrox...)
Show SMILES CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CNC3)cc2C1=O
Show InChI InChI=1S/C23H25FN6O4/c1-23(2,33)19(24)12-29-11-13-6-17(18(7-15(13)22(29)32)34-14-8-25-9-14)28-21(31)16-10-27-30-5-3-4-26-20(16)30/h3-7,10,14,19,25,33H,8-9,11-12H2,1-2H3,(H,28,31)/t19-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504166
PNG
(N-(6-(4-(2-Acetamidoethyl)piperazin-1-yl)-2,2-dime...)
Show SMILES CC(=O)NCCN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C25H31N7O3/c1-17(33)26-6-8-30-9-11-31(12-10-30)21-14-22-18(15-25(2,3)35-22)13-20(21)29-24(34)19-16-28-32-7-4-5-27-23(19)32/h4-5,7,13-14,16H,6,8-12,15H2,1-3H3,(H,26,33)(H,29,34)
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3.70n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM50511357
PNG
(CHEMBL4452765 | US11034698, Example 92)
Show SMILES O=C(Nc1cc2CN(CC3CCOCC3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
Show InChI InChI=1S/C25H28N6O4/c32-24(20-14-27-31-5-1-4-26-23(20)31)28-21-12-18-16-30(15-17-2-8-34-9-3-17)25(33)19(18)13-22(21)29-6-10-35-11-7-29/h1,4-5,12-14,17H,2-3,6-11,15-16H2,(H,28,32)
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3.70n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504171
PNG
(N-[2,2-dimethyl-6-[4-[(4- methyl-1H-imidazol-5- yl...)
Show SMILES Cc1nc[nH]c1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C26H30N8O2/c1-17-21(29-16-28-17)15-32-7-9-33(10-8-32)22-12-23-18(13-26(2,3)36-23)11-20(22)31-25(35)19-14-30-34-6-4-5-27-24(19)34/h4-6,11-12,14,16H,7-10,13,15H2,1-3H3,(H,28,29)(H,31,35)
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3.80n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504172
PNG
(N-[6-[4-[(4-ethyl-1H-imidazol- 5-yl)methyl]piperaz...)
Show SMILES CCc1nc[nH]c1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C27H32N8O2/c1-4-20-22(30-17-29-20)16-33-8-10-34(11-9-33)23-13-24-18(14-27(2,3)37-24)12-21(23)32-26(36)19-15-31-35-7-5-6-28-25(19)35/h5-7,12-13,15,17H,4,8-11,14,16H2,1-3H3,(H,29,30)(H,32,36)
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3.90n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504201
PNG
((R)-5-(3-Aminopiperidin-1-yl)- N-(6-methoxy-2,2-di...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H28N6O3/c1-23(2)11-14-9-17(19(31-3)10-18(14)32-23)26-22(30)16-12-25-29-8-6-20(27-21(16)29)28-7-4-5-15(24)13-28/h6,8-10,12,15H,4-5,7,11,13,24H2,1-3H3,(H,26,30)/t15-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM498077
PNG
(N-[4- (Ethylsulfonyl)benzyl]- 5'-methyl-1-{1-[6- (...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)cc1
Show InChI InChI=1S/C30H34F3N3O4S2/c1-4-42(38,39)24-8-5-21(6-9-24)17-35-28(37)25-16-23-15-19(2)40-29(27(23)41-25)11-13-36(14-12-29)20(3)22-7-10-26(34-18-22)30(31,32)33/h5-10,16,18-20H,4,11-15,17H2,1-3H3,(H,35,37)
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4.42n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...


US Patent US11008336 (2021)

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


(Homo sapiens (Human))
BDBM504203
PNG
(5-amino-N-(6-Methoxy-2,2- dimethyl-2,3- dihydroben...)
Show SMILES COc1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2ccc(N)nc12
Show InChI InChI=1S/C18H19N5O3/c1-18(2)8-10-6-12(14(25-3)7-13(10)26-18)21-17(24)11-9-20-23-5-4-15(19)22-16(11)23/h4-7,9H,8H2,1-3H3,(H2,19,22)(H,21,24)
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4.60n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504174
PNG
(N-(2,2-Dimethyl-6-(4-((4- methylthiazol-5- yl)meth...)
Show SMILES Cc1ncsc1CN1CCN(CC1)c1cc2OC(C)(C)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C26H29N7O2S/c1-17-23(36-16-28-17)15-31-7-9-32(10-8-31)21-12-22-18(13-26(2,3)35-22)11-20(21)30-25(34)19-14-29-33-6-4-5-27-24(19)33/h4-6,11-12,14,16H,7-10,13,15H2,1-3H3,(H,30,34)
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4.60n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504245
PNG
(N-[6-Morpholino-2-(2- oxaspiro[3,3]heptan-6-yl)-1-...)
Show SMILES O=C(Nc1cc2CN(C3CC4(COC4)C3)C(=O)c2cc1N1CCOCC1)c1cnn2cccnc12
Show InChI InChI=1S/C25H26N6O4/c32-23(19-12-27-31-3-1-2-26-22(19)31)28-20-8-16-13-30(17-10-25(11-17)14-35-15-25)24(33)18(16)9-21(20)29-4-6-34-7-5-29/h1-3,8-9,12,17H,4-7,10-11,13-15H2,(H,28,32)
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4.90n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504254
PNG
((R)-N-(6-(4-((3-Ethylisoxazol-4- yl)methyl)piperaz...)
Show SMILES CCc1nocc1CN1CCN(CC1)c1cc2C(=O)N(C[C@@H](F)C(C)(C)O)Cc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C30H35FN8O4/c1-4-23-20(18-43-35-23)15-36-8-10-37(11-9-36)25-13-21-19(16-38(29(21)41)17-26(31)30(2,3)42)12-24(25)34-28(40)22-14-33-39-7-5-6-32-27(22)39/h5-7,12-14,18,26,42H,4,8-11,15-17H2,1-3H3,(H,34,40)/t26-/m1/s1
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5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

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


(Homo sapiens (Human))
BDBM504165
PNG
(N-(2,2-Dimethyl-6-(4-(2- (methylsulfonamido)ethyl)...)
Show SMILES CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)N1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C24H31N7O4S/c1-24(2)15-17-13-19(28-23(32)18-16-26-31-7-4-5-25-22(18)31)20(14-21(17)35-24)30-11-9-29(10-12-30)8-6-27-36(3,33)34/h4-5,7,13-14,16,27H,6,8-12,15H2,1-3H3,(H,28,32)
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5.10n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over...


US Patent US11034698 (2021)

More data for this
Ligand-Target Pair
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