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Patent code US9765037

Compile Data Set for Download or QSAR

Found 344 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 HCK


(Homo sapiens (Human))
BDBM50345712
PNG
(3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345719
PNG
(1-(2-(1-ethylpiperidin-4-yl)ethyl)-3-(naphthalen-1...)
Show SMILES CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H30N6/c1-2-30-13-10-18(11-14-30)12-15-31-25-23(24(26)27-17-28-25)22(29-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,17-18H,2,10-16H2,1H3,(H2,26,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345720
PNG
(1-(1-(methylsulfonyl)piperidin-4-yl)-3-(naphthalen...)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C22H24N6O2S/c1-31(29,30)27-11-9-17(10-12-27)28-22-20(21(23)24-14-25-22)19(26-28)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,14,17H,9-13H2,1H3,(H2,23,24,25)
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n/an/a 90n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50389685
PNG
(CHEMBL2070052 | US9765037, Compound 11)
Show SMILES CC(C)Oc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C21H23N5O/c1-12(2)26-21-18(20(22)23-11-24-21)19(25-26)16-6-5-15-10-17(27-13(3)4)8-7-14(15)9-16/h5-13H,1-4H3,(H2,22,23,24)
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n/an/a 475n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50383380
PNG
(CHEMBL2030553 | CHEMBL2070047 | US9765037, Compoun...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50389690
PNG
(CHEMBL2070056 | US9765037, Compound 33)
Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h3-6,12-13,15-16,26H,2,7-11,14H2,1H3,(H2,25,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50389690
PNG
(CHEMBL2070056 | US9765037, Compound 33)
Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H28N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h3-6,12-13,15-16,26H,2,7-11,14H2,1H3,(H2,25,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50389696
PNG
(CHEMBL2070063 | US9765037, Compound 34)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)c12
Show InChI InChI=1S/C28H28N6O/c29-27-25-26(33-34(28(25)32-18-31-27)16-19-10-12-30-13-11-19)23-7-6-22-15-24(9-8-21(22)14-23)35-17-20-4-2-1-3-5-20/h1-9,14-15,18-19,30H,10-13,16-17H2,(H2,29,31,32)
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n/an/a 3.06E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50389702
PNG
(CHEMBL2070069 | US9765037, Compound 39)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
Show InChI InChI=1S/C28H27ClN6O/c29-23-6-1-19(2-7-23)16-36-24-8-5-20-13-22(4-3-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM340919
PNG
(3-(4-chlorophenyl)-1-(piperidin-4-ylmethyl)-1H- py...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C17H19ClN6/c18-13-3-1-12(2-4-13)15-14-16(19)21-10-22-17(14)24(23-15)9-11-5-7-20-8-6-11/h1-4,10-11,20H,5-9H2,(H2,19,21,22)
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n/an/a 7.33E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM341805
PNG
(US9765037, Compound 118)
Show SMILES Cc1cc(ccc1-c1ccccc1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C24H26N6/c1-16-13-19(7-8-20(16)18-5-3-2-4-6-18)22-21-23(25)27-15-28-24(21)30(29-22)14-17-9-11-26-12-10-17/h2-8,13,15,17,26H,9-12,14H2,1H3,(H2,25,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50389725
PNG
(CHEMBL2069941 | US9765037, Compound 134)
Show SMILES Cc1cccc(c1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-6-5-7-11(8-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 1.64E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50345714
PNG
(1-(4-(4-amino-3-(naphthalen-1-ylmethyl)-1H-pyrazol...)
Show SMILES CC(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C23H24N6O/c1-15(30)28-11-9-18(10-12-28)29-23-21(22(24)25-14-26-23)20(27-29)13-17-7-4-6-16-5-2-3-8-19(16)17/h2-8,14,18H,9-13H2,1H3,(H2,24,25,26)
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n/an/a 103n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50345719
PNG
(1-(2-(1-ethylpiperidin-4-yl)ethyl)-3-(naphthalen-1...)
Show SMILES CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C25H30N6/c1-2-30-13-10-18(11-14-30)12-15-31-25-23(24(26)27-17-28-25)22(29-31)16-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,17-18H,2,10-16H2,1H3,(H2,26,27,28)
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n/an/a 93n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50345724
PNG
(3-(3-chlorophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]p...)
Show SMILES CC(C)n1nc(-c2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)20-14-11(13(16)17-7-18-14)12(19-20)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H2,16,17,18)
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n/an/a 115n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50345735
PNG
(1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...)
Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 17n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50345740
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50345744
PNG
(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2ccc3OCCOc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H17N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-3-4-11-12(7-10)23-6-5-22-11/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18,19)
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n/an/a 984n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50345745
PNG
(3-(chroman-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CC(C)n1nc(-c2ccc3OCCCc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20)
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n/an/a 110n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340882
PNG
(3-isopropyl-1-(quinolin-3-yl)imidazo[1,5- a]pyrazi...)
Show SMILES CC(C)c1nc(-c2cnc3ccccc3c2)c2c(N)nccn12
Show InChI InChI=1S/C18H17N5/c1-11(2)18-22-15(16-17(19)20-7-8-23(16)18)13-9-12-5-3-4-6-14(12)21-10-13/h3-11H,1-2H3,(H2,19,20)
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n/an/a 40n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340892
PNG
(3-(2-chloropyridin-4-yl)-1-isopropyl-1H- pyrazolo[...)
Show SMILES CC(C)n1nc(-c2ccnc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C13H13ClN6/c1-7(2)20-13-10(12(15)17-6-18-13)11(19-20)8-3-4-16-9(14)5-8/h3-7H,1-2H3,(H2,15,17,18)
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n/an/a 63.8n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM340892
PNG
(3-(2-chloropyridin-4-yl)-1-isopropyl-1H- pyrazolo[...)
Show SMILES CC(C)n1nc(-c2ccnc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C13H13ClN6/c1-7(2)20-13-10(12(15)17-6-18-13)11(19-20)8-3-4-16-9(14)5-8/h3-7H,1-2H3,(H2,15,17,18)
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n/an/a 370n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340899
PNG
(1-isopropyl-3-(4-methyl-1H-indol-2-yl)-1H- pyrazol...)
Show SMILES CC(C)n1nc(-c2cc3c(C)cccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C17H18N6/c1-9(2)23-17-14(16(18)19-8-20-17)15(22-23)13-7-11-10(3)5-4-6-12(11)21-13/h4-9,21H,1-3H3,(H2,18,19,20)
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n/an/a 3.80n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM340899
PNG
(1-isopropyl-3-(4-methyl-1H-indol-2-yl)-1H- pyrazol...)
Show SMILES CC(C)n1nc(-c2cc3c(C)cccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C17H18N6/c1-9(2)23-17-14(16(18)19-8-20-17)15(22-23)13-7-11-10(3)5-4-6-12(11)21-13/h4-9,21H,1-3H3,(H2,18,19,20)
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n/an/a 7.30n/an/an/an/an/an/a



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US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM315509
PNG
(US10172858, Table 2.5 | US9765037, Compound 27)
Show SMILES COc1ccc2[nH]c(cc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C17H18N6O/c1-9(2)23-17-14(16(18)19-8-20-17)15(22-23)13-7-10-6-11(24-3)4-5-12(10)21-13/h4-9,21H,1-3H3,(H2,18,19,20)
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n/an/a 623n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50383380
PNG
(CHEMBL2030553 | CHEMBL2070047 | US9765037, Compoun...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)
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n/an/a 4.90n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50389696
PNG
(CHEMBL2070063 | US9765037, Compound 34)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)c12
Show InChI InChI=1S/C28H28N6O/c29-27-25-26(33-34(28(25)32-18-31-27)16-19-10-12-30-13-11-19)23-7-6-22-15-24(9-8-21(22)14-23)35-17-20-4-2-1-3-5-20/h1-9,14-15,18-19,30H,10-13,16-17H2,(H2,29,31,32)
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n/an/a 2.10n/an/an/an/an/an/a



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US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50389698
PNG
(CHEMBL2070065 | US9765037, Compound 37)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5Cl)ccc4c3)c12
Show InChI InChI=1S/C28H27ClN6O/c29-24-4-2-1-3-22(24)16-36-23-8-7-19-13-21(6-5-20(19)14-23)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



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US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50389700
PNG
(CHEMBL2070067 | US9765037, Compound 38)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5cccc(Cl)c5)ccc4c3)c12
Show InChI InChI=1S/C28H27ClN6O/c29-23-3-1-2-19(12-23)16-36-24-7-6-20-13-22(5-4-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-8-10-31-11-9-18/h1-7,12-14,17-18,31H,8-11,15-16H2,(H2,30,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



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US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50389695
PNG
(CHEMBL2070062 | US9765037, Compound 40)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C25H23N5O/c1-16(2)30-25-22(24(26)27-15-28-25)23(29-30)20-9-8-19-13-21(11-10-18(19)12-20)31-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28)
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n/an/a 0.800n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50389687
PNG
(CHEMBL2070054 | US9765037, Compound 41)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)
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n/an/a 0.600n/an/an/an/an/an/a



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US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM50389687
PNG
(CHEMBL2070054 | US9765037, Compound 41)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)
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n/an/a 4.10n/an/an/an/an/an/a



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US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340926
PNG
(3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)
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n/an/a 4.30n/an/an/an/an/an/a



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US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM340926
PNG
(3-(6-(3-chloro-5-fluorobenzyloxy)naphthalen-2- yl)...)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C25H21ClFN5O/c1-14(2)32-25-22(24(28)29-13-30-25)23(31-32)18-4-3-17-10-21(6-5-16(17)9-18)33-12-15-7-19(26)11-20(27)8-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,30)
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n/an/a 373n/an/an/an/an/an/a



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Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340927
PNG
(1-isopropyl-3-(6-(1-phenylethoxy)naphthalen-2- yl)...)
Show SMILES CC(C)n1nc(-c2ccc3cc(OC(C)c4ccccc4)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C26H25N5O/c1-16(2)31-26-23(25(27)28-15-29-26)24(30-31)21-10-9-20-14-22(12-11-19(20)13-21)32-17(3)18-7-5-4-6-8-18/h4-17H,1-3H3,(H2,27,28,29)
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n/an/a 12n/an/an/an/an/an/a



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Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340936
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C19H24N6O/c1-5-6-14(26)23-13-9-7-12(8-10-13)16-15-17(20)21-11-22-18(15)25(24-16)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,23,26)(H2,20,21,22)
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n/an/a 68.4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340938
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...)
Show SMILES CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCC3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H26N6O/c1-21(2,3)27-19-16(18(22)23-12-24-19)17(26-27)13-8-10-15(11-9-13)25-20(28)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,25,28)(H2,22,23,24)
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n/an/a 46.2n/an/an/an/an/an/a



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Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM340938
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...)
Show SMILES CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCC3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C21H26N6O/c1-21(2,3)27-19-16(18(22)23-12-24-19)17(26-27)13-8-10-15(11-9-13)25-20(28)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,25,28)(H2,22,23,24)
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n/an/a 417n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1 (CDPK1)


(Cryptosporidium parvum)
BDBM340939
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...)
Show SMILES CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCCC3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H28N6O/c1-22(2,3)28-20-17(19(23)24-13-25-20)18(27-28)14-9-11-16(12-10-14)26-21(29)15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,26,29)(H2,23,24,25)
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n/an/a 928n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM340942
PNG
(N-(4-(4-amino-1-tert-butyl-1H-pyrazolo[3,4- d]pyri...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C18H22N6O/c1-5-13(25)22-12-8-6-11(7-9-12)15-14-16(19)20-10-21-17(14)24(23-15)18(2,3)4/h6-10H,5H2,1-4H3,(H,22,25)(H2,19,20,21)
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n/an/a 196n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345704
PNG
(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)
Show SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50345705
PNG
(1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyr...)
Show SMILES CC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50345712
PNG
(3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc4ccccc34)c12
Show InChI InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50345718
PNG
(1-((1-ethylpiperidin-4-yl)methyl)-3-(naphthalen-1-...)
Show SMILES CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C24H28N6/c1-2-29-12-10-17(11-13-29)15-30-24-22(23(25)26-16-27-24)21(28-30)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,16-17H,2,10-15H2,1H3,(H2,25,26,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
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n/an/a 75n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50345740
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
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n/an/a 218n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50389689
PNG
(CHEMBL2070055 | US9765037, Compound 12)
Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C21H23N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h5-8,10-13H,4,9H2,1-3H3,(H2,22,23,24)
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US Patent
n/an/a 838n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50389688
PNG
(CHEMBL2069315 | US9765037, Compound 36)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCC=C)ccc4c3)c12
Show InChI InChI=1S/C24H26N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h2-6,12-13,15-16,26H,1,7-11,14H2,(H2,25,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50389702
PNG
(CHEMBL2070069 | US9765037, Compound 39)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
Show InChI InChI=1S/C28H27ClN6O/c29-23-6-1-19(2-7-23)16-36-24-8-5-20-13-22(4-3-21(20)14-24)26-25-27(30)32-17-33-28(25)35(34-26)15-18-9-11-31-12-10-18/h1-8,13-14,17-18,31H,9-12,15-16H2,(H2,30,32,33)
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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


(Homo sapiens (Human))
BDBM50389687
PNG
(CHEMBL2070054 | US9765037, Compound 41)
Show SMILES CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H21N5O/c1-4-9-27-17-8-7-14-10-16(6-5-15(14)11-17)19-18-20(22)23-12-24-21(18)26(25-19)13(2)3/h4-8,10-13H,1,9H2,2-3H3,(H2,22,23,24)
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US Patent
n/an/a 199n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Inhibition of human tyrosine kinases.


US Patent US9765037 (2017)

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