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Patent code US10596172

Compile Data Set for Download or QSAR

Found 747 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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM437958
PNG
(US10596172, Compound I-360)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C24H28N6O/c1-17-8-5-9-19(14-17)27-23-18(2)16-25-24(29-23)28-21-11-6-10-20(15-21)26-22(31)12-7-13-30(3)4/h5-12,14-16H,13H2,1-4H3,(H,26,31)(H2,25,27,28,29)/b12-7+
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n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM437965
PNG
(US10596172, Compound I-373)
Show SMILES C[C@@H](CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(31)26-14-5-4-6-15(9-14)27-21-18(24)11-25-22(29-21)28-16-7-8-19(17(23)10-16)32-13(2)12-30/h3-11,13,30H,1,12H2,2H3,(H,26,31)(H2,25,27,28,29)/t13-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397145
PNG
(US10596172, Compound I-7 | 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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397159
PNG
(US10596172, Compound I-72 | US9987276, Compound I-...)
Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM437828
PNG
(US10596172, Compound I-162)
Show SMILES Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H26FN5O4/c1-2-23(33)29-18-7-4-10-21(16-18)36-25-22(27)17-28-26(31-25)30-19-8-3-9-20(15-19)35-14-6-13-32-12-5-11-24(32)34/h2-4,7-10,15-17H,1,5-6,11-14H2,(H,29,33)(H,28,30,31)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397226
PNG
(US10596172, Compound I-173 | US9987276, Compound I...)
Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)
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n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397257
PNG
(US10596172, Compound I-227 | US9987276, Compound I...)
Show SMILES COc1cccc(Nc2ncc(c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-18(31)29-17-10-13(7-8-16(17)22)27-19-15(21(23,24)25)11-26-20(30-19)28-12-5-4-6-14(9-12)32-2/h3-11H,1H2,2H3,(H,29,31)(H2,26,27,28,30)
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n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397259
PNG
(US10596172, Compound I-230 | US9987276, Compound I...)
Show SMILES NC(=O)c1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H18N6O2/c1-2-17(27)23-14-9-6-10-15(11-14)24-19-16(18(21)28)12-22-20(26-19)25-13-7-4-3-5-8-13/h2-12H,1H2,(H2,21,28)(H,23,27)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397286
PNG
(US10596172, Compound I-359 | US9987276, Compound I...)
Show SMILES COCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C24H25F2N5O4/c1-3-22(32)28-16-5-4-6-17(13-16)29-23-20(26)15-27-24(31-23)30-18-7-8-21(19(25)14-18)35-12-11-34-10-9-33-2/h3-8,13-15H,1,9-12H2,2H3,(H,28,32)(H2,27,29,30,31)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397146
PNG
(US10596172, Compound I-27 | US9987276, Compound I-...)
Show SMILES Cc1cnc(Nc2ccccc2)nc1NC1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C19H23N5O/c1-3-17(25)24-11-7-10-16(13-24)21-18-14(2)12-20-19(23-18)22-15-8-5-4-6-9-15/h3-6,8-9,12,16H,1,7,10-11,13H2,2H3,(H2,20,21,22,23)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397265
PNG
(US10596172, Compound I-245 | US9987276, Compound I...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397303
PNG
(US10596172, Compound I-84 | US9987276, Compound I-...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397211
PNG
(US10596172, Compound I-156 | US9987276, Compound I...)
Show SMILES Fc1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H16FN7O/c1-2-18(29)24-13-4-3-5-14(9-13)25-19-16(21)11-22-20(27-19)26-15-6-7-17-12(8-15)10-23-28-17/h2-11H,1H2,(H,23,28)(H,24,29)(H2,22,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397215
PNG
(US10596172, Compound I-160 | US9987276, Compound I...)
Show SMILES NS(=O)(=O)c1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C19H17FN6O3S/c1-2-17(27)23-12-5-3-6-13(9-12)24-18-16(20)11-22-19(26-18)25-14-7-4-8-15(10-14)30(21,28)29/h2-11H,1H2,(H,23,27)(H2,21,28,29)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM437828
PNG
(US10596172, Compound I-162)
Show SMILES Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H26FN5O4/c1-2-23(33)29-18-7-4-10-21(16-18)36-25-22(27)17-28-26(31-25)30-19-8-3-9-20(15-19)35-14-6-13-32-12-5-11-24(32)34/h2-4,7-10,15-17H,1,5-6,11-14H2,(H,29,33)(H,28,30,31)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397221
PNG
(US10596172, Compound I-167 | US9987276, Compound I...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397226
PNG
(US10596172, Compound I-173 | US9987276, Compound I...)
Show SMILES COc1ccc(Nc2ncc(C#N)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H17N7O2/c1-3-17(28)24-14-5-4-6-15(9-14)25-19-13(10-21)11-23-20(27-19)26-16-7-8-18(29-2)22-12-16/h3-9,11-12H,1H2,2H3,(H,24,28)(H2,23,25,26,27)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397378
PNG
(US10596172, Compound I-335 | US9987276, Compound I...)
Show SMILES OCC(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C22H22FN5O4/c1-2-20(31)25-15-4-3-5-16(10-15)26-21-19(23)11-24-22(28-21)27-14-6-8-18(9-7-14)32-13-17(30)12-29/h2-11,17,29-30H,1,12-13H2,(H,25,31)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397390
PNG
(US10596172, Compound I-352 | US9987276, Compound I...)
Show SMILES COCCOc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)cc1F
Show InChI InChI=1S/C23H21F4N5O3/c1-3-20(33)29-14-5-4-6-15(11-14)30-21-17(23(25,26)27)13-28-22(32-21)31-16-7-8-19(18(24)12-16)35-10-9-34-2/h3-8,11-13H,1,9-10H2,2H3,(H,29,33)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM397289
PNG
(US10596172, Compound I-5 | US9987276, Compound I-5)
Show SMILES Cc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-3-18(26)22-16-10-7-11-17(12-16)24-20-21-13-14(2)19(25-20)23-15-8-5-4-6-9-15/h3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM397145
PNG
(US10596172, Compound I-7 | 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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM397149
PNG
(US10596172, Compound I-35 | US9987276, Compound I-...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397143
PNG
(US10596172, Compound I-8 | US9987276, Compound I-2)
Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1
Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397291
PNG
(US10596172, Compound I-9 | US9987276, Compound I-9)
Show SMILES Cc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1cccc(Br)c1
Show InChI InChI=1S/C20H18BrN5O/c1-3-18(27)23-16-8-5-9-17(11-16)25-20-22-12-13(2)19(26-20)24-15-7-4-6-14(21)10-15/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397160
PNG
(US10596172, Compound I-73 | US9987276, Compound I-...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397161
PNG
(US10596172, Compound I-75 | US9987276, Compound I-...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397305
PNG
(US10596172, Compound I-86 | US9987276, Compound I-...)
Show SMILES Fc1cnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H20ClFN6O2/c1-2-23(34)30-16-7-5-8-17(12-16)31-24-21(27)14-29-25(33-24)32-18-9-10-22(20(26)13-18)35-15-19-6-3-4-11-28-19/h2-14H,1,15H2,(H,30,34)(H2,29,31,32,33)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397308
PNG
(US10596172, Compound I-93 | US9987276, Compound I-...)
Show SMILES CC(C)(CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C23H24FN5O3/c1-4-20(31)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)32-23(2,3)14-30/h4-13,30H,1,14H2,2-3H3,(H,26,31)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397172
PNG
(US10596172, Compound I-243 | US9987276, Compound I...)
Show SMILES COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H17FN6O2/c1-3-16(27)23-12-5-4-6-13(9-12)24-18-15(20)11-22-19(26-18)25-14-7-8-17(28-2)21-10-14/h3-11H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397173
PNG
(US10596172, Compound I-96 | US9987276, Compound I-...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397178
PNG
(US10596172, Compound I-108 | US9987276, Compound I...)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C22H21ClFN5O3/c1-3-20(30)28-19-12-15(6-9-17(19)23)26-21-18(24)13-25-22(29-21)27-14-4-7-16(8-5-14)32-11-10-31-2/h3-9,12-13H,1,10-11H2,2H3,(H,28,30)(H2,25,26,27,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397197
PNG
(US10596172, Compound I-138 | US9987276, Compound I...)
Show SMILES CS(=O)(=O)CCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C23H24FN5O4S/c1-3-21(30)26-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-18-9-5-10-19(14-18)33-11-6-12-34(2,31)32/h3-5,7-10,13-15H,1,6,11-12H2,2H3,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397190
PNG
(US10596172, Compound I-126 | US9987276, Compound I...)
Show SMILES CN1CCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc12
Show InChI InChI=1S/C22H21FN6O2/c1-3-20(30)25-14-5-4-6-15(11-14)26-21-17(23)13-24-22(28-21)27-16-7-8-19-18(12-16)29(2)9-10-31-19/h3-8,11-13H,1,9-10H2,2H3,(H,25,30)(H2,24,26,27,28)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397192
PNG
(US10596172, Compound I-129 | US9987276, Compound I...)
Show SMILES CC(=O)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
Show InChI InChI=1S/C25H22N6O4/c1-3-23(34)31-8-9-35-21-7-5-17(12-20(21)31)27-24-18(14(2)32)13-26-25(30-24)28-16-4-6-19-15(10-16)11-22(33)29-19/h3-7,10,12-13H,1,8-9,11H2,2H3,(H,29,33)(H2,26,27,28,30)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397196
PNG
(US10596172, Compound I-135 | US9987276, Compound I...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397201
PNG
(US10596172, Compound I-143 | US9987276, Compound I...)
Show SMILES Fc1cnc(Nc2ccc3OCCN(C(=O)C(F)(F)F)c3c2)nc1Nc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H18F4N6O3/c1-2-19(34)29-13-4-3-5-14(10-13)30-20-16(24)12-28-22(32-20)31-15-6-7-18-17(11-15)33(8-9-36-18)21(35)23(25,26)27/h2-7,10-12H,1,8-9H2,(H,29,34)(H2,28,30,31,32)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397335
PNG
(US10596172, Compound I-171 | US9987276, Compound I...)
Show SMILES COc1ccc(Nc2ncc(C#N)c(n2)N(C(=O)C=C)c2cccc(NC(=O)C=C)c2)cn1
Show InChI InChI=1S/C23H19N7O3/c1-4-19(31)27-16-7-6-8-18(11-16)30(21(32)5-2)22-15(12-24)13-26-23(29-22)28-17-9-10-20(33-3)25-14-17/h4-11,13-14H,1-2H2,3H3,(H,27,31)(H,26,28,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397236
PNG
(US10596172, Compound I-188 | US9987276, Compound I...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM437866
PNG
(US10596172, Compound I-200)
Show SMILES COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Nc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C27H24N6O3/c1-3-24(34)29-19-11-7-12-20(15-19)30-25-23(26(35)31-18-9-5-4-6-10-18)17-28-27(33-25)32-21-13-8-14-22(16-21)36-2/h3-17H,1H2,2H3,(H,29,34)(H,31,35)(H2,28,30,32,33)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397253
PNG
(US10596172, Compound I-217 | US9987276, Compound I...)
Show SMILES COc1ccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H16FN5O3/c1-3-16(26)23-12-5-4-6-14(9-12)28-18-15(20)11-22-19(25-18)24-13-7-8-17(27-2)21-10-13/h3-11H,1H2,2H3,(H,23,26)(H,22,24,25)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397269
PNG
(US10596172, Compound I-313 | US9987276, Compound I...)
Show SMILES CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C22H23FN6O3/c1-4-18(30)26-14-6-5-7-15(10-14)27-20-17(23)12-25-21(29-20)28-16-8-9-19(24-11-16)32-13-22(2,3)31/h4-12,31H,1,13H2,2-3H3,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397371
PNG
(US10596172, Compound I-326 | US9987276, Compound I...)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(O)C(=C)C#N)n2)cc1F
Show InChI InChI=1S/C23H21F2N5O3/c1-14(12-26)21(31)15-4-3-5-16(10-15)28-22-19(25)13-27-23(30-22)29-17-6-7-20(18(24)11-17)33-9-8-32-2/h3-7,10-11,13,21,31H,1,8-9H2,2H3,(H2,27,28,29,30)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397276
PNG
(US10596172, Compound I-329 | US9987276, Compound I...)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(CC(=O)C(C)=C)cc3)n2)cc1F
Show InChI InChI=1S/C24H24F2N4O3/c1-15(2)21(31)12-16-4-6-17(7-5-16)28-23-20(26)14-27-24(30-23)29-18-8-9-22(19(25)13-18)33-11-10-32-3/h4-9,13-14H,1,10-12H2,2-3H3,(H2,27,28,29,30)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397376
PNG
(US10596172, Compound I-332 | US9987276, Compound I...)
Show SMILES CC(C)(CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C23H23F2N5O3/c1-4-20(32)27-14-6-5-7-15(10-14)28-21-18(25)12-26-22(30-21)29-16-8-9-19(17(24)11-16)33-23(2,3)13-31/h4-12,31H,1,13H2,2-3H3,(H,27,32)(H2,26,28,29,30)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397383
PNG
(US10596172, Compound I-345 | US9987276, Compound I...)
Show SMILES COCCOc1ccc(Nc2ncc(F)c(N[C@@H]3CCCN(C3)C(=O)C=C)n2)cc1
Show InChI InChI=1S/C21H26FN5O3/c1-3-19(28)27-10-4-5-16(14-27)24-20-18(22)13-23-21(26-20)25-15-6-8-17(9-7-15)30-12-11-29-2/h3,6-9,13,16H,1,4-5,10-12,14H2,2H3,(H2,23,24,25,26)/t16-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397148
PNG
(US10596172, Compound I-33 | US9987276, Compound I-...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397166
PNG
(US10596172, Compound I-97 | US9987276, Compound I-...)
Show SMILES CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C22H23FN6O4S/c1-3-19(30)26-15-6-4-7-16(12-15)27-21-18(23)14-25-22(29-21)28-17-8-9-20(24-13-17)33-10-5-11-34(2,31)32/h3-4,6-9,12-14H,1,5,10-11H2,2H3,(H,26,30)(H2,25,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397191
PNG
(US10596172, Compound I-128 | US9987276, Compound I...)
Show SMILES CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1
Show InChI InChI=1S/C24H24N6O5/c1-3-22(33)30-8-10-34-20-6-4-16(12-19(20)30)27-23-18(15(2)32)14-26-24(29-23)28-17-5-7-21(25-13-17)35-11-9-31/h3-7,12-14,31H,1,8-11H2,2H3,(H2,26,27,28,29)
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Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397203
PNG
(US10596172, Compound I-147 | US9987276, Compound I...)
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
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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


(Homo sapiens (Human))
BDBM397219
PNG
(US10596172, Compound I-165 | US9987276, Compound I...)
Show SMILES COc1ccc(Nc2ncc(F)c(Nc3ccc4CN(Cc4c3)C(=O)C=C)n2)cn1
Show InChI InChI=1S/C21H19FN6O2/c1-3-19(29)28-11-13-4-5-15(8-14(13)12-28)25-20-17(22)10-24-21(27-20)26-16-6-7-18(30-2)23-9-16/h3-10H,1,11-12H2,2H3,(H2,24,25,26,27)
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n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)

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