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Patent code US9987276

Compile Data Set for Download or QSAR

Found 467 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
JAK3/JAK1


(Homo sapiens (Human))
BDBM397145
PNG
(US9987276, Compound I-7)
Show SMILES Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H19N5O/c1-3-18(26)22-16-10-7-11-17(12-16)23-19-14(2)13-21-20(25-19)24-15-8-5-4-6-9-15/h3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)
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Celgene CAR LLC

US Patent


Assay Description
JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM397147
PNG
(US9987276, Compound I-28)
Show SMILES Fc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C19H16FN5O/c1-2-17(26)22-14-9-6-10-15(11-14)23-18-16(20)12-21-19(25-18)24-13-7-4-3-5-8-13/h2-12H,1H2,(H,22,26)(H2,21,23,24,25)
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Celgene CAR LLC

US Patent


Assay Description
JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM397153
PNG
(US9987276, Compound I-45)
Show SMILES Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H34N6O4/c1-6-24(35)31-20-10-7-11-21(16-20)32-25-19(2)18-30-26(34-25)33-22-12-8-13-23(17-22)37-15-9-14-29-27(36)38-28(3,4)5/h6-8,10-13,16-18H,1,9,14-15H2,2-5H3,(H,29,36)(H,31,35)(H2,30,32,33,34)
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Celgene CAR LLC

US Patent


Assay Description
JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397148
PNG
(US9987276, Compound I-33)
Show SMILES Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H20N6O3S/c1-3-18(27)23-14-6-4-7-15(10-14)24-19-13(2)12-22-20(26-19)25-16-8-5-9-17(11-16)30(21,28)29/h3-12H,1H2,2H3,(H,23,27)(H2,21,28,29)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397152
PNG
(US9987276, Compound I-40)
Show SMILES Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)C(=O)C=C
Show InChI InChI=1S/C23H24N6O3S/c1-3-21(30)29-10-9-16-11-19(8-7-17(16)14-29)26-22-15(2)13-25-23(28-22)27-18-5-4-6-20(12-18)33(24,31)32/h3-8,11-13H,1,9-10,14H2,2H3,(H2,24,31,32)(H2,25,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397160
PNG
(US9987276, Compound I-73)
Show SMILES CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C23H24FN5O3/c1-4-20(30)26-16-6-5-7-17(12-16)27-21-19(24)13-25-22(29-21)28-15-8-10-18(11-9-15)32-14-23(2,3)31/h4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397161
PNG
(US9987276, Compound I-75 | US9987276, Compound I-8...)
Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)CC1
Show InChI InChI=1S/C26H29FN6O2/c1-3-24(34)29-19-6-4-7-20(14-19)30-25-23(27)16-28-26(32-25)31-21-8-5-9-22(15-21)35-17-18-10-12-33(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,34)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397223
PNG
(US9987276, Compound I-169)
Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
Show InChI InChI=1S/C27H28N6O4/c1-3-25(35)33-12-15-37-24-9-6-20(16-23(24)33)29-26-22(18(2)34)17-28-27(31-26)30-19-4-7-21(8-5-19)32-10-13-36-14-11-32/h3-9,16-17H,1,10-15H2,2H3,(H2,28,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397224
PNG
(US9987276, Compound I-170)
Show SMILES COc1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cc1
Show InChI InChI=1S/C24H23N5O4/c1-4-22(31)29-11-12-33-21-10-7-17(13-20(21)29)26-23-19(15(2)30)14-25-24(28-23)27-16-5-8-18(32-3)9-6-16/h4-10,13-14H,1,11-12H2,2-3H3,(H2,25,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397227
PNG
(US9987276, Compound I-174)
Show SMILES Fc1cnc(Nc2ccc3OCCNc3c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C21H19FN6O2/c1-2-19(29)25-13-4-3-5-14(10-13)26-20-16(22)12-24-21(28-20)27-15-6-7-18-17(11-15)23-8-9-30-18/h2-7,10-12,23H,1,8-9H2,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397237
PNG
(US9987276, Compound I-189 | US9987276, Compound I-...)
Show SMILES COc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H20N6O3/c1-4-18(29)24-14-6-5-7-15(10-14)25-20-17(13(2)28)12-23-21(27-20)26-16-8-9-19(30-3)22-11-16/h4-12H,1H2,2-3H3,(H,24,29)(H2,23,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397261
PNG
(US9987276, Compound I-237)
Show SMILES Cc1cnc(Nc2cccc(OCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C33H40N8O4S/c1-3-28(42)36-22-9-6-10-23(17-22)37-31-21(2)19-35-32(41-31)38-24-11-7-12-25(18-24)45-16-8-15-34-29(43)14-5-4-13-27-30-26(20-46-27)39-33(44)40-30/h3,6-7,9-12,17-19,26-27,30H,1,4-5,8,13-16,20H2,2H3,(H,34,43)(H,36,42)(H2,39,40,44)(H2,35,37,38,41)/t26-,27-,30-/m0/s1
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US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM397153
PNG
(US9987276, Compound I-45)
Show SMILES Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H34N6O4/c1-6-24(35)31-20-10-7-11-21(16-20)32-25-19(2)18-30-26(34-25)33-22-12-8-13-23(17-22)37-15-9-14-29-27(36)38-28(3,4)5/h6-8,10-13,16-18H,1,9,14-15H2,2-5H3,(H,29,36)(H,31,35)(H2,30,32,33,34)
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Celgene CAR LLC

US Patent


Assay Description
BMX: The activity of selected compounds of this invention in the BMX inhibition assay


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM397196
PNG
(US9987276, Compound I-135)
Show SMILES Fc1cnc(Nc2cccc(OCCN3CCOCC3)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C24H31FN6O3/c1-2-22(32)31-8-4-6-19(17-31)27-23-21(25)16-26-24(29-23)28-18-5-3-7-20(15-18)34-14-11-30-9-12-33-13-10-30/h2-3,5,7,15-16,19H,1,4,6,8-14,17H2,(H2,26,27,28,29)/t19-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
BMX: The activity of selected compounds of this invention in the BMX inhibition assay


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397288
PNG
(US9987276, Compound I-3)
Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2F)c1
Show InChI InChI=1S/C20H18FN5O/c1-3-18(27)23-15-8-5-9-16(11-15)25-20-22-12-17(21)19(26-20)24-14-7-4-6-13(2)10-14/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397162
PNG
(US9987276, Compound I-76 | US9987276, Compound I-8...)
Show SMILES CN1CCCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)C1
Show InChI InChI=1S/C26H29FN6O2/c1-3-24(34)29-19-8-4-9-20(13-19)30-25-23(27)15-28-26(32-25)31-21-10-5-11-22(14-21)35-17-18-7-6-12-33(2)16-18/h3-5,8-11,13-15,18H,1,6-7,12,16-17H2,2H3,(H,29,34)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397314
PNG
(US9987276, Compound I-104)
Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CC[C@@H](O)C4)c3)ncc2F)c1
Show InChI InChI=1S/C25H27FN6O2/c1-17-5-2-6-18(13-17)29-24-22(26)15-27-25(31-24)30-20-8-3-7-19(14-20)28-23(34)9-4-11-32-12-10-21(33)16-32/h2-9,13-15,21,33H,10-12,16H2,1H3,(H,28,34)(H2,27,29,30,31)/b9-4+/t21-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397221
PNG
(US9987276, Compound I-167)
Show SMILES COc1ccc(Nc2ncc(C3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C22H22N6O2/c1-3-19(29)25-15-5-4-6-16(11-15)26-21-18(14-7-8-14)13-24-22(28-21)27-17-9-10-20(30-2)23-12-17/h3-6,9-14H,1,7-8H2,2H3,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397236
PNG
(US9987276, Compound I-188)
Show SMILES COc1ccc(Nc2ncc(C(C)=O)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H19N5O4/c1-4-18(28)24-14-6-5-7-16(10-14)30-20-17(13(2)27)12-23-21(26-20)25-15-8-9-19(29-3)22-11-15/h4-12H,1H2,2-3H3,(H,24,28)(H,23,25,26)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397267
PNG
(US9987276, Compound I-248)
Show SMILES Cc1cnc(Nc2ccccc2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H18N4O2/c1-3-18(25)22-16-10-7-11-17(12-16)26-19-14(2)13-21-20(24-19)23-15-8-5-4-6-9-15/h3-13H,1H2,2H3,(H,22,25)(H,21,23,24)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM397145
PNG
(US9987276, Compound I-7)
Show SMILES Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H19N5O/c1-3-18(26)22-16-10-7-11-17(12-16)23-19-14(2)13-21-20(25-19)24-15-8-5-4-6-9-15/h3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM397266
PNG
(US9987276, Compound I-247)
Show SMILES Fc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C19H15F2N5O/c1-2-17(27)23-14-4-3-5-15(10-14)24-18-16(21)11-22-19(26-18)25-13-8-6-12(20)7-9-13/h2-11H,1H2,(H,23,27)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397158
PNG
(US9987276, Compound I-70)
Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397183
PNG
(US9987276, Compound I-121)
Show SMILES CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C22H22N6O4/c1-3-19(31)25-15-5-4-6-16(11-15)26-21-18(14(2)30)13-24-22(28-21)27-17-7-8-20(23-12-17)32-10-9-29/h3-8,11-13,29H,1,9-10H2,2H3,(H,25,31)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397185
PNG
(US9987276, Compound I-124)
Show SMILES COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C24H25N5O4/c1-4-22(31)26-18-6-5-7-19(14-18)27-23-21(16(2)30)15-25-24(29-23)28-17-8-10-20(11-9-17)33-13-12-32-3/h4-11,14-15H,1,12-13H2,2-3H3,(H,26,31)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397210
PNG
(US9987276, Compound I-155)
Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12
Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397216
PNG
(US9987276, Compound I-144 | US9987276, Compound I-...)
Show SMILES Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H27FN6O3/c1-2-23(34)29-18-7-3-8-19(15-18)30-25-22(27)17-28-26(32-25)31-20-9-4-10-21(16-20)36-14-6-13-33-12-5-11-24(33)35/h2-4,7-10,15-17H,1,5-6,11-14H2,(H,29,34)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397234
PNG
(US9987276, Compound I-185)
Show SMILES CC(=C)C(=O)c1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1
Show InChI InChI=1S/C20H17FN4O/c1-13(2)18(26)14-8-10-16(11-9-14)23-19-17(21)12-22-20(25-19)24-15-6-4-3-5-7-15/h3-12H,1H2,2H3,(H2,22,23,24,25)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397254
PNG
(US9987276, Compound I-218)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cn1
Show InChI InChI=1S/C20H17F3N6O2/c1-3-16(30)26-12-5-4-6-13(9-12)27-18-15(20(21,22)23)11-25-19(29-18)28-14-7-8-17(31-2)24-10-14/h3-11H,1H2,2H3,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397265
PNG
(US9987276, Compound I-245)
Show SMILES FC(F)(F)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H16F3N5O/c1-2-17(29)25-14-9-6-10-15(11-14)26-18-16(20(21,22)23)12-24-19(28-18)27-13-7-4-3-5-8-13/h2-12H,1H2,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397267
PNG
(US9987276, Compound I-248)
Show SMILES Cc1cnc(Nc2ccccc2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H18N4O2/c1-3-18(25)22-16-10-7-11-17(12-16)26-19-14(2)13-21-20(24-19)23-15-8-5-4-6-9-15/h3-13H,1H2,2H3,(H,22,25)(H,21,23,24)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397275
PNG
(US9987276, Compound I-324)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)C(C)=C)n2)cc1F
Show InChI InChI=1S/C23H22F2N4O3/c1-14(2)21(30)15-4-6-16(7-5-15)27-22-19(25)13-26-23(29-22)28-17-8-9-20(18(24)12-17)32-11-10-31-3/h4-9,12-13H,1,10-11H2,2-3H3,(H2,26,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM397149
PNG
(US9987276, Compound I-35)
Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
BMX: The activity of selected compounds of this invention in the BMX inhibition assay


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM397195
PNG
(US9987276, Compound I-134)
Show SMILES COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1OC
Show InChI InChI=1S/C21H20FN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-15-8-9-17(29-2)18(11-15)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
BMX: The activity of selected compounds of this invention in the BMX inhibition assay


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM397265
PNG
(US9987276, Compound I-245)
Show SMILES FC(F)(F)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H16F3N5O/c1-2-17(29)25-14-9-6-10-15(11-14)26-18-16(20(21,22)23)12-24-19(28-18)27-13-7-4-3-5-8-13/h2-12H,1H2,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
BMX: The activity of selected compounds of this invention in the BMX inhibition assay


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397303
PNG
(US9987276, Compound I-84)
Show SMILES OCCN1CCN(CC1)c1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C25H27FN6O3/c1-2-23(34)28-19-6-4-8-21(16-19)35-24-22(26)17-27-25(30-24)29-18-5-3-7-20(15-18)32-11-9-31(10-12-32)13-14-33/h2-8,15-17,33H,1,9-14H2,(H,28,34)(H,27,29,30)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397181
PNG
(US9987276, Compound I-116)
Show SMILES CS(=O)(=O)CCCOc1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C23H23FN4O5S/c1-3-21(29)26-16-7-5-10-19(14-16)33-22-20(24)15-25-23(28-22)27-17-8-4-9-18(13-17)32-11-6-12-34(2,30)31/h3-5,7-10,13-15H,1,6,11-12H2,2H3,(H,26,29)(H,25,27,28)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397193
PNG
(US9987276, Compound I-131)
Show SMILES COCCOc1ccc(Nc2ncc(C3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C25H26N4O4/c1-3-23(30)27-19-5-4-6-21(15-19)33-24-22(17-7-8-17)16-26-25(29-24)28-18-9-11-20(12-10-18)32-14-13-31-2/h3-6,9-12,15-17H,1,7-8,13-14H2,2H3,(H,27,30)(H,26,28,29)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397332
PNG
(US9987276, Compound I-145)
Show SMILES OCc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C20H18FN5O2/c1-2-18(28)23-15-7-4-8-16(10-15)24-19-17(21)11-22-20(26-19)25-14-6-3-5-13(9-14)12-27/h2-11,27H,1,12H2,(H,23,28)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397210
PNG
(US9987276, Compound I-155)
Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12
Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397229
PNG
(US9987276, Compound I-177)
Show SMILES COc1cccc(Nc2ncc(C(=O)NC3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C24H24N6O3/c1-3-21(31)26-16-6-4-7-17(12-16)27-22-20(23(32)28-15-10-11-15)14-25-24(30-22)29-18-8-5-9-19(13-18)33-2/h3-9,12-15H,1,10-11H2,2H3,(H,26,31)(H,28,32)(H2,25,27,29,30)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397144
PNG
(US9987276, Compound I-360 | US9987276, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM397173
PNG
(US9987276, Compound I-96)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(30)26-14-5-4-6-15(11-14)27-21-18(24)13-25-22(29-21)28-16-7-8-19(17(23)12-16)32-10-9-31-2/h3-8,11-13H,1,9-10H2,2H3,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM397173
PNG
(US9987276, Compound I-96)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(30)26-14-5-4-6-15(11-14)27-21-18(24)13-25-22(29-21)28-16-7-8-19(17(23)12-16)32-10-9-31-2/h3-8,11-13H,1,9-10H2,2H3,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50161162
PNG
(AVL-292 | CC-292 | SPEBRUTINIB | Spebrutinib | US9...)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
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n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM397265
PNG
(US9987276, Compound I-245)
Show SMILES FC(F)(F)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H16F3N5O/c1-2-17(29)25-14-9-6-10-15(11-14)26-18-16(20(21,22)23)12-24-19(28-18)27-13-7-4-3-5-8-13/h2-12H,1H2,(H,25,29)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM397144
PNG
(US9987276, Compound I-360 | US9987276, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+
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Celgene CAR LLC

US Patent


Assay Description
JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397164
PNG
(US9987276, Compound I-78)
Show SMILES CN1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cn2)CC1
Show InChI InChI=1S/C25H28FN7O2/c1-3-22(34)29-18-5-4-6-19(13-18)30-24-21(26)15-28-25(32-24)31-20-7-8-23(27-14-20)35-16-17-9-11-33(2)12-10-17/h3-8,13-15,17H,1,9-12,16H2,2H3,(H,29,34)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM397203
PNG
(US9987276, Compound I-147)
Show SMILES Fc1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C18H19ClFN5O/c1-2-16(26)25-8-4-7-14(11-25)22-17-15(20)10-21-18(24-17)23-13-6-3-5-12(19)9-13/h2-3,5-6,9-10,14H,1,4,7-8,11H2,(H2,21,22,23,24)/t14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM397290
PNG
(US9987276, Compound I-8)
Show SMILES Cc1cccc(Nc2nc(Nc3cc(NC(=O)C=C)ccc3C)ncc2C)c1
Show InChI InChI=1S/C22H23N5O/c1-5-20(28)24-18-10-9-15(3)19(12-18)26-22-23-13-16(4)21(27-22)25-17-8-6-7-14(2)11-17/h5-13H,1H2,2-4H3,(H,24,28)(H2,23,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


US Patent US9987276 (2018)

More data for this
Ligand-Target Pair
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