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Patent code US9714247

Compile Data Set for Download or QSAR

Found 452 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 Lyn


(Homo sapiens (Human))
BDBM264419
PNG
(US9714247, 141 | US9714247, 142)
Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264421
PNG
(US9714247, 143 | US9714247, 144)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264294
PNG
(US9714247, 15)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2ccccc2)nc1
Show InChI InChI=1S/C26H29N5O2/c1-4-31(5-2)13-14-33-21-11-12-24(28-18-21)29-25-16-23-20(17-27-25)15-22(26(32)30(23)3)19-9-7-6-8-10-19/h6-12,15-18H,4-5,13-14H2,1-3H3,(H,27,28,29)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264322
PNG
(US9714247, 43)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2cc(-c2ccccc2)c1=O
Show InChI InChI=1S/C26H28N6O/c1-3-32-23-16-25(27-17-20(23)15-22(26(32)33)19-7-5-4-6-8-19)29-24-10-9-21(18-28-24)31-13-11-30(2)12-14-31/h4-10,15-18H,3,11-14H2,1-2H3,(H,27,28,29)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264334
PNG
(US9714247, 55)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C(C)CCO)c(=O)c(cc3cn2)-c2ccccc2)nc1
Show InChI InChI=1S/C29H35N5O3/c1-4-33(5-2)14-16-37-24-11-12-27(31-20-24)32-28-18-26-23(19-30-28)17-25(22-9-7-6-8-10-22)29(36)34(26)21(3)13-15-35/h6-12,17-21,35H,4-5,13-16H2,1-3H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264342
PNG
(US9714247, 63)
Show SMILES CCn1c2cc(Nc3ccnc(O)n3)ncc2cc(-c2ccccc2)c1=O
Show InChI InChI=1S/C20H17N5O2/c1-2-25-16-11-18(23-17-8-9-21-20(27)24-17)22-12-14(16)10-15(19(25)26)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,21,22,23,24,27)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264362
PNG
(US9714247, 83)
Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264372
PNG
(US9714247, 93)
Show SMILES CCn1c2cc(Nc3ccc(OCCN4CCN(C)CC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C28H30F2N6O2/c1-3-36-24-16-26(31-17-19(24)15-21(28(36)37)27-22(29)5-4-6-23(27)30)33-25-8-7-20(18-32-25)38-14-13-35-11-9-34(2)10-12-35/h4-8,15-18H,3,9-14H2,1-2H3,(H,31,32,33)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264374
PNG
(US9714247, 95)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C28H30F2N6O/c1-4-36-24-15-26(31-16-18(24)14-21(28(36)37)27-22(29)6-5-7-23(27)30)33-25-9-8-20(17-32-25)35(3)19-10-12-34(2)13-11-19/h5-9,14-17,19H,4,10-13H2,1-3H3,(H,31,32,33)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264375
PNG
(US9714247, 96)
Show SMILES CCn1c2cc(Nc3ccc(CN4CCN(C)CC4)cn3)ncc2cc(-c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C27H28F2N6O/c1-3-35-23-14-25(32-24-8-7-18(15-30-24)17-34-11-9-33(2)10-12-34)31-16-19(23)13-20(27(35)36)26-21(28)5-4-6-22(26)29/h4-8,13-16H,3,9-12,17H2,1-2H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264379
PNG
(US9714247, 100)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2F)nc1
Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)11-12-36-20-8-10-25(31-17-20)32-26-15-24-18(16-30-26)13-22(27(35)34(24)6-3)21-9-7-19(28)14-23(21)29/h7-10,13-17H,4-6,11-12H2,1-3H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264379
PNG
(US9714247, 100)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2F)nc1
Show InChI InChI=1S/C27H29F2N5O2/c1-4-33(5-2)11-12-36-20-8-10-25(31-17-20)32-26-15-24-18(16-30-26)13-22(27(35)34(24)6-3)21-9-7-19(28)14-23(21)29/h7-10,13-17H,4-6,11-12H2,1-3H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264380
PNG
(US9714247, 101)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1
Show InChI InChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264382
PNG
(US9714247, 103)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2cccnc2)nc1
Show InChI InChI=1S/C26H30N6O2/c1-4-31(5-2)12-13-34-21-9-10-24(29-18-21)30-25-15-23-20(17-28-25)14-22(26(33)32(23)6-3)19-8-7-11-27-16-19/h7-11,14-18H,4-6,12-13H2,1-3H3,(H,28,29,30)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264387
PNG
(US9714247, 108)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2OC)nc1
Show InChI InChI=1S/C28H32ClN5O3/c1-5-33(6-2)13-14-37-20-11-12-25(31-18-20)32-26-16-23-19(17-30-26)15-21(28(35)34(23)7-3)27-22(29)9-8-10-24(27)36-4/h8-12,15-18H,5-7,13-14H2,1-4H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264390
PNG
(US9714247, 111)
Show SMILES CCn1c2cc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)ncc2cc(-c2ccccc2)c1=O
Show InChI InChI=1S/C27H30N6O3S/c1-3-33-24-16-26(29-18-22(24)15-23(27(33)34)21-7-5-4-6-8-21)30-25-10-9-20(17-28-25)19-31-11-13-32(14-12-31)37(2,35)36/h4-10,15-18H,3,11-14,19H2,1-2H3,(H,28,29,30)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264395
PNG
(US9714247, 117)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2cc(SC)ccc2F)c1=O
Show InChI InChI=1S/C29H33FN6OS/c1-5-36-26-16-28(33-27-9-6-21(18-32-27)35(3)20-10-12-34(2)13-11-20)31-17-19(26)14-24(29(36)37)23-15-22(38-4)7-8-25(23)30/h6-9,14-18,20H,5,10-13H2,1-4H3,(H,31,32,33)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264400
PNG
(US9714247, 122)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(O)cccc2Cl)c1=O
Show InChI InChI=1S/C28H31ClN6O2/c1-4-35-23-15-26(30-16-18(23)14-21(28(35)37)27-22(29)6-5-7-24(27)36)32-25-9-8-20(17-31-25)34(3)19-10-12-33(2)13-11-19/h5-9,14-17,19,36H,4,10-13H2,1-3H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264408
PNG
(US9714247, 130)
Show SMILES CN(C)CCCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2c(F)cccc2F)c1=O
Show InChI InChI=1S/C24H22F3N5O/c1-31(2)9-4-10-32-20-12-22(30-21-8-7-16(25)14-29-21)28-13-15(20)11-17(24(32)33)23-18(26)5-3-6-19(23)27/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,28,29,30)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264411
PNG
(US9714247, 133)
Show SMILES Fc1ccc(Nc2cc3n(CCN4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C25H22F3N5O2/c26-17-4-5-22(30-15-17)31-23-13-21-16(14-29-23)12-18(24-19(27)2-1-3-20(24)28)25(34)33(21)7-6-32-8-10-35-11-9-32/h1-5,12-15H,6-11H2,(H,29,30,31)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264412
PNG
(US9714247, 134)
Show SMILES CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1
Show InChI InChI=1S/C26H25F3N6O/c1-33-7-9-34(10-8-33)11-12-35-22-14-24(32-23-6-5-18(27)16-31-23)30-15-17(22)13-19(26(35)36)25-20(28)3-2-4-21(25)29/h2-6,13-16H,7-12H2,1H3,(H,30,31,32)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264412
PNG
(US9714247, 134)
Show SMILES CN1CCN(CCn2c3cc(Nc4ccc(F)cn4)ncc3cc(-c3c(F)cccc3F)c2=O)CC1
Show InChI InChI=1S/C26H25F3N6O/c1-33-7-9-34(10-8-33)11-12-35-22-14-24(32-23-6-5-18(27)16-31-23)30-15-17(22)13-19(26(35)36)25-20(28)3-2-4-21(25)29/h2-6,13-16H,7-12H2,1H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264414
PNG
(US9714247, 136)
Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C29H30F2N6O/c1-35-12-10-19(11-13-35)36(2)21-8-9-26(33-17-21)34-27-15-25-18(16-32-27)14-22(29(38)37(25)20-6-7-20)28-23(30)4-3-5-24(28)31/h3-5,8-9,14-17,19-20H,6-7,10-13H2,1-2H3,(H,32,33,34)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264416
PNG
(US9714247, 138)
Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C30H32F2N6O/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264417
PNG
(US9714247, 139)
Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C31H34F2N6O/c1-37-14-12-21(13-15-37)38(2)23-10-11-28(35-19-23)36-29-17-27-20(18-34-29)16-24(30-25(32)8-5-9-26(30)33)31(40)39(27)22-6-3-4-7-22/h5,8-11,16-19,21-22H,3-4,6-7,12-15H2,1-2H3,(H,34,35,36)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264419
PNG
(US9714247, 141 | US9714247, 142)
Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C23H17F3N4O2/c24-14-4-5-20(28-11-14)29-21-9-19-13(10-27-21)8-16(22-17(25)2-1-3-18(22)26)23(31)30(19)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264421
PNG
(US9714247, 143 | US9714247, 144)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264423
PNG
(US9714247, 145 | US9714247, 146)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1
Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264293
PNG
(US9714247, 14)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2ccccc2)nc1
Show InChI InChI=1S/C25H27N5O2/c1-3-30(4-2)12-13-32-20-10-11-23(27-17-20)29-24-15-22-19(16-26-24)14-21(25(31)28-22)18-8-6-5-7-9-18/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,28,31)(H,26,27,29)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264302
PNG
(US9714247, 23)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
Show InChI InChI=1S/C30H35N5O2/c1-3-34(4-2)16-17-37-25-14-15-28(32-21-25)33-29-19-27-23(20-31-29)18-26(22-10-6-5-7-11-22)30(36)35(27)24-12-8-9-13-24/h5-7,10-11,14-15,18-21,24H,3-4,8-9,12-13,16-17H2,1-2H3,(H,31,32,33)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264304
PNG
(US9714247, 25)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCC4)c(=O)c(cc3cn2)-c2ccccc2)nc1
Show InChI InChI=1S/C29H33N5O2/c1-3-33(4-2)15-16-36-24-13-14-27(31-20-24)32-28-18-26-22(19-30-28)17-25(21-9-6-5-7-10-21)29(35)34(26)23-11-8-12-23/h5-7,9-10,13-14,17-20,23H,3-4,8,11-12,15-16H2,1-2H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264313
PNG
(US9714247, 34)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C(C)C)c(=O)c(cc3cn2)C(C)C)nc1
Show InChI InChI=1S/C25H35N5O2/c1-7-29(8-2)11-12-32-20-9-10-23(27-16-20)28-24-14-22-19(15-26-24)13-21(17(3)4)25(31)30(22)18(5)6/h9-10,13-18H,7-8,11-12H2,1-6H3,(H,26,27,28)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264314
PNG
(US9714247, 35)
Show SMILES CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(-c2ccccc2F)c1=O
Show InChI InChI=1S/C22H19FN4O/c1-3-27-19-11-21(26-20-9-8-14(2)12-24-20)25-13-15(19)10-17(22(27)28)16-6-4-5-7-18(16)23/h4-13H,3H2,1-2H3,(H,24,25,26)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264346
PNG
(US9714247, 67)
Show SMILES CCn1c2cc(Nc3ccc(NCCN(C)C)cn3)ncc2cc(-c2ccccc2)c1=O
Show InChI InChI=1S/C25H28N6O/c1-4-31-22-15-24(29-23-11-10-20(17-28-23)26-12-13-30(2)3)27-16-19(22)14-21(25(31)32)18-8-6-5-7-9-18/h5-11,14-17,26H,4,12-13H2,1-3H3,(H,27,28,29)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264348
PNG
(US9714247, 69)
Show SMILES CCn1c2cc(Nc3ccc(C)cn3)ncc2cc(c1=O)C(C)(C)O
Show InChI InChI=1S/C19H22N4O2/c1-5-23-15-9-17(22-16-7-6-12(2)10-20-16)21-11-13(15)8-14(18(23)24)19(3,4)25/h6-11,25H,5H2,1-4H3,(H,20,21,22)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264350
PNG
(US9714247, 71)
Show SMILES CCn1c2cc(Nc3ccc(F)cn3)ncc2cc(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C21H16ClFN4O/c1-2-27-18-10-20(26-19-8-7-14(23)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)22/h3-12H,2H2,1H3,(H,24,25,26)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264365
PNG
(US9714247, 86)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-4-31(5-2)16-17-34-24-14-12-23(13-15-24)30-27-19-26-22(20-29-27)18-25(28(33)32(26)6-3)21-10-8-7-9-11-21/h7-15,18-20H,4-6,16-17H2,1-3H3,(H,29,30)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264376
PNG
(US9714247, 97)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(F)ccc(Cl)c2F)nc1
Show InChI InChI=1S/C27H28ClF2N5O2/c1-4-34(5-2)11-12-37-18-7-10-23(32-16-18)33-24-14-22-17(15-31-24)13-19(27(36)35(22)6-3)25-21(29)9-8-20(28)26(25)30/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,31,32,33)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264378
PNG
(US9714247, 99)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2ccc(F)cc2C)nc1
Show InChI InChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-22-9-11-26(31-18-22)32-27-16-25-20(17-30-27)15-24(28(35)34(25)7-3)23-10-8-21(29)14-19(23)4/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264380
PNG
(US9714247, 101)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1
Show InChI InChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)12-13-36-19-10-11-24(31-17-19)32-25-15-23-18(16-30-25)14-20(27(35)34(23)6-3)26-21(28)8-7-9-22(26)29/h7-11,14-17H,4-6,12-13H2,1-3H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264384
PNG
(US9714247, 105)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(CC)c(=O)c(cc3cn2)-c2cccc(SC)c2)nc1
Show InChI InChI=1S/C28H33N5O2S/c1-5-32(6-2)13-14-35-22-11-12-26(30-19-22)31-27-17-25-21(18-29-27)16-24(28(34)33(25)7-3)20-9-8-10-23(15-20)36-4/h8-12,15-19H,5-7,13-14H2,1-4H3,(H,29,30,31)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264398
PNG
(US9714247, 120)
Show SMILES CCn1c2cc(Nc3ccc(cn3)N(C)C3CCN(C)CC3)ncc2cc(-c2c(O)cccc2F)c1=O
Show InChI InChI=1S/C28H31FN6O2/c1-4-35-23-15-26(30-16-18(23)14-21(28(35)37)27-22(29)6-5-7-24(27)36)32-25-9-8-20(17-31-25)34(3)19-10-12-33(2)13-11-19/h5-9,14-17,19,36H,4,10-13H2,1-3H3,(H,30,31,32)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264409
PNG
(US9714247, 131)
Show SMILES Fc1ccc(Nc2cc3n(CCCN4CCOCC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C26H24F3N5O2/c27-18-5-6-23(31-16-18)32-24-14-22-17(15-30-24)13-19(25-20(28)3-1-4-21(25)29)26(35)34(22)8-2-7-33-9-11-36-12-10-33/h1,3-6,13-16H,2,7-12H2,(H,30,31,32)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264413
PNG
(US9714247, 135)
Show SMILES CN(C1CCN(C)CC1)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C27H28F2N6O/c1-33-11-9-18(10-12-33)34(2)19-7-8-24(31-16-19)32-25-14-23-17(15-30-25)13-20(27(36)35(23)3)26-21(28)5-4-6-22(26)29/h4-8,13-16,18H,9-12H2,1-3H3,(H,30,31,32)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (human))
BDBM264423
PNG
(US9714247, 145 | US9714247, 146)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1
Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264421
PNG
(US9714247, 143 | US9714247, 144)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264421
PNG
(US9714247, 143 | US9714247, 144)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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


(Homo sapiens (Human))
BDBM264421
PNG
(US9714247, 143 | US9714247, 144)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(F)cccc2F)nc1
Show InChI InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264423
PNG
(US9714247, 145 | US9714247, 146)
Show SMILES CCN(CC)CCOc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1
Show InChI InChI=1S/C29H31Cl2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
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Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM264425
PNG
(US9714247, 147 | US9714247, 148)
Show SMILES Fc1ccc(Nc2cc3n(C4CCOC4)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)nc1
Show InChI InChI=1S/C23H17Cl2FN4O2/c24-17-2-1-3-18(25)22(17)16-8-13-10-27-21(29-20-5-4-14(26)11-28-20)9-19(13)30(23(16)31)15-6-7-32-12-15/h1-5,8-11,15H,6-7,12H2,(H,27,28,29)
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n/an/a<100n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.; Mannkind Corporation

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)

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