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USPatent 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 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.7,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(4.67,-3.85,;6,-3.08,;6,-1.54,;4.67,-.77,;3.33,-1.54,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-8.67,-.77,;-10,-1.54,;-10,-3.08,;-11.34,-3.85,;-8.67,-3.85,;-7.34,-3.08,;-3.33,-.77,;-2,-1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;8.67,1.54,;8.67,3.08,;7.34,3.85,;10,3.85,;11.34,3.08,;11.34,1.54,;10,.77,;10,-.77,;7.34,-.77,;8.67,-1.54,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-9.34,.77,;-8,1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(4,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;-4,-.77,;-2.67,-1.54,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;6.67,-.77,;8,-1.54,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-10.67,-1.54,;-9.34,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;-2.67,-1.54,;-4,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-9.34,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;10.67,-1.54,;-2.67,-1.54,;-4,-.77,)|
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(6.67,-3.47,;5.33,-4.23,;5.33,-5.78,;4,-3.47,;4,-1.93,;2.67,-1.15,;2.67,.38,;1.33,1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-1.33,2.69,;,3.47,;1.33,2.69,;2.67,3.47,;4,2.69,;5.33,3.47,;6.67,2.69,;6.67,1.15,;8,3.47,;8,5,;6.67,5.78,;5.33,5,;4,5.78,;4,1.15,;5.33,.38,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-8,3.85,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;2.67,-5.39,;4,-6.16,;5.33,-5.39,;5.33,-3.85,;4,1.54,;5.33,.77,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;-5.33,.77,;-6.67,1.54,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-5.33,4.62,;-6.67,3.85,;-8,4.62,;-6.67,2.31,;-5.33,1.54,;-1.33,3.85,;,4.62,;1.33,3.85,;2.67,4.62,;4,3.85,;5.33,4.62,;6.67,3.85,;6.67,2.31,;8,4.62,;8,6.16,;6.67,6.93,;5.33,6.16,;4,6.93,;4,2.31,;5.33,1.54,;5.33,-3.08,;5.33,-4.62,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-5.33,3.36,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-8,-1.26,;-9.34,-.49,;-10.67,-1.26,;-9.34,1.05,;-8,1.82,;-4,1.05,;-2.67,1.82,;-1.33,1.05,;-1.33,-.49,;,-1.26,;1.33,-.49,;2.67,-1.26,;4,-.49,;5.33,-1.26,;5.33,-2.8,;4.56,-4.13,;6.1,-4.13,;6.67,-.49,;8,-1.26,;6.67,1.05,;5.33,1.82,;4,1.05,;2.67,1.82,;1.33,1.05,;8,1.82,;9.34,1.05,;9.34,-.49,;10.67,1.82,;10.67,3.36,;9.34,4.13,;8,3.36,;6.67,4.13,;-2.67,-1.26,;-4,-.49,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-6.67,-.07,;-8,-.84,;-9.34,-.07,;-10.67,-.84,;-9.34,1.47,;-8,2.24,;-4,1.47,;-2.67,2.24,;-1.33,1.47,;-1.33,-.07,;,-.84,;1.33,-.07,;2.67,-.84,;4,-.07,;5.33,-.84,;5.33,-2.38,;4.25,-3.47,;5.33,-4.55,;6.42,-3.47,;6.67,-.07,;8,-.84,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;8,2.24,;9.34,1.47,;9.34,-.07,;10.67,2.24,;10.67,3.78,;9.34,4.55,;8,3.78,;6.67,4.55,;-2.67,-.84,;-4,-.07,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-5.33,3.88,;-5.33,2.34,;-6.67,1.57,;-6.67,.03,;-8,-.74,;-9.34,.03,;-10.67,-.74,;-9.34,1.57,;-8,2.34,;-4,1.57,;-2.67,2.34,;-1.33,1.57,;-1.33,.03,;,-.74,;1.33,.03,;2.67,-.74,;4,.03,;5.33,-.74,;5.33,-2.28,;4.09,-3.19,;4.56,-4.65,;6.1,-4.65,;6.58,-3.19,;6.67,.03,;8,-.74,;6.67,1.57,;5.33,2.34,;4,1.57,;2.67,2.34,;1.33,1.57,;8,2.34,;9.34,1.57,;9.34,.03,;10.67,2.34,;10.67,3.88,;9.34,4.65,;8,3.88,;6.67,4.65,;-2.67,-.74,;-4,.03,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-10,-3.85,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;10,1.54,;11.34,.77,;8.67,.77,;8.67,-.77,;-3.33,-1.54,;-4.67,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-10.67,-1.54,;-9.34,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;6.67,-.77,;8,-1.54,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,3.85,;10.67,3.08,;10.67,1.54,;9.34,.77,;9.34,-.77,;-2.67,-1.54,;-4,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-5.33,1.54,;-5.33,3.08,;-6.67,.77,;-8,1.54,;-9.34,.77,;-9.34,-.77,;-10.67,-1.54,;-8,-1.54,;-6.67,-.77,;1.33,.77,;2.67,1.54,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;9.34,-.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;6.67,3.85,;6.67,-.77,;8,-1.54,)|
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-8,3.85,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;,-3.85,;,-5.39,;1.33,-6.16,;2.67,-5.39,;4,1.54,;5.33,.77,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,3.85,;8,5.39,;6.67,6.16,;5.33,5.39,;4,6.16,;-5.33,.77,;-6.67,1.54,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-9.34,.38,;-8,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;8,-1.93,;6.67,.38,;5.33,1.15,;4,.38,;2.67,1.15,;1.33,.38,;8,1.15,;9.34,.38,;9.34,-1.15,;10.67,1.15,;10.67,2.69,;9.34,3.47,;8,2.69,;6.67,3.47,;-2.67,-1.93,;-4,-1.15,)|
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-8,-6.16,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-4,-5.39,;-4,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;2.67,3.08,;2.67,1.54,;1.42,.63,;1.9,-.83,;3.44,-.83,;3.91,.63,;4,3.85,;5.33,3.08,;4,5.39,;2.67,6.16,;1.33,5.39,;,6.16,;-1.33,5.39,;5.33,6.16,;5.33,7.7,;4,8.47,;6.67,8.47,;8,7.7,;8,6.16,;6.67,5.39,;6.67,3.85,;-4,.77,;-4,-.77,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-11.34,1.57,;-10,2.34,;-8.67,1.57,;-8.67,.03,;-10,-.74,;-7.34,2.34,;-6,1.57,;-4.67,2.34,;-3.33,1.57,;-3.33,.03,;-2,-.74,;-.67,.03,;.67,-.74,;2,.03,;3.33,-.74,;4.67,.03,;6,-.74,;6,-2.28,;4.76,-3.19,;5.23,-4.65,;6.77,-4.65,;7.25,-3.19,;7.34,.03,;8.67,-.74,;7.34,1.57,;6,2.34,;4.67,1.57,;3.33,2.34,;2,1.57,;8.67,2.34,;10,1.57,;10,.03,;11.34,2.34,;11.34,3.88,;10,4.65,;8.67,3.88,;7.34,4.65,;-.67,1.57,;-2,2.34,)|
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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
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 |(-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-3.33,1.15,;-2,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.58,-2.06,;-.1,-3.52,;1.44,-3.52,;1.91,-2.06,;2,1.15,;3.33,.38,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-3.33,2.69,;3.33,3.47,;3.33,5,;2,5.78,;4.67,5.78,;6,5,;6,3.47,;4.67,2.69,;4.67,1.15,;-6,-1.93,;-6,-3.47,)|
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%