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Patent code US8486966

Compile Data Set for Download or QSAR
Found 24 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
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98013
PNG
(US8486966, 6)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ncc(F)cn3)nc12 |r|
Show InChI InChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-13-4-5-14(24-18(13)27)23-11(3)17-20-7-12(19)8-21-17/h4-11H,1-3H3,(H,23,24)(H,25,26)/t11-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98014
PNG
(US8486966, 8)
Show SMILES CCOc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](CO)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C18H18FN7O2/c1-2-28-17-7-16(24-25-17)26-10-21-13-5-6-15(23-18(13)26)22-14(9-27)12-4-3-11(19)8-20-12/h3-8,10,14,27H,2,9H2,1H3,(H,22,23)(H,24,25)/t14-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392793
PNG
(CHEMBL2151323 | US8486966, 12)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2cnc(N[C@@H](C)c3ncc(F)cn3)nc12 |r|
Show InChI InChI=1S/C17H18FN9O/c1-9(2)28-14-4-13(25-26-14)27-8-22-12-7-21-17(24-16(12)27)23-10(3)15-19-5-11(18)6-20-15/h4-10H,1-3H3,(H,25,26)(H,21,23,24)/t10-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98016
PNG
(US8486966, 10)
Show SMILES CCOc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C18H18FN7O/c1-3-27-17-8-16(24-25-17)26-10-21-14-6-7-15(23-18(14)26)22-11(2)13-5-4-12(19)9-20-13/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)/t11-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98026
PNG
(US8486966, 23)
Show SMILES CCOc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](CC)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-3-13(14-6-5-12(20)10-21-14)23-16-8-7-15-19(24-16)27(11-22-15)17-9-18(26-25-17)28-4-2/h5-11,13H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t13-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98015
PNG
(US8486966, 9)
Show SMILES CCOc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ncc(F)cn3)nc12 |r|
Show InChI InChI=1S/C17H17FN8O/c1-3-27-15-6-14(24-25-15)26-9-21-12-4-5-13(23-17(12)26)22-10(2)16-19-7-11(18)8-20-16/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)/t10-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392793
PNG
(CHEMBL2151323 | US8486966, 12)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2cnc(N[C@@H](C)c3ncc(F)cn3)nc12 |r|
Show InChI InChI=1S/C17H18FN9O/c1-9(2)28-14-4-13(25-26-14)27-8-22-12-7-21-17(24-16(12)27)23-10(3)15-19-5-11(18)6-20-15/h4-10H,1-3H3,(H,25,26)(H,21,23,24)/t10-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392792
PNG
(CHEMBL2151322 | US8486966, 7)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](CO)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O2/c1-11(2)29-18-7-17(25-26-18)27-10-22-14-5-6-16(24-19(14)27)23-15(9-28)13-4-3-12(20)8-21-13/h3-8,10-11,15,28H,9H2,1-2H3,(H,23,24)(H,25,26)/t15-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392789
PNG
(CHEMBL2151319 | US8486966, 3)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H17FN8/c1-10(17-20-7-12(19)8-21-17)23-15-5-4-13-18(24-15)27(9-22-13)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,24)(H,25,26)/t10-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98010
PNG
(US8486966, 2)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C19H18FN7/c1-11(14-5-4-13(20)9-21-14)23-17-7-6-15-19(24-17)27(10-22-15)18-8-16(25-26-18)12-2-3-12/h4-12H,2-3H2,1H3,(H,23,24)(H,25,26)/t11-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM98020
PNG
(US8486966, 17)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc(C)[nH]n3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C17H16FN7/c1-10-7-16(24-23-10)25-9-20-14-5-6-15(22-17(14)25)21-11(2)13-4-3-12(18)8-19-13/h3-9,11H,1-2H3,(H,21,22)(H,23,24)/t11-/m0/s1
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n/an/a 3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98018
PNG
(US8486966, 14)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2cc(Cl)c(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
Show InChI InChI=1S/C19H19ClFN7O/c1-10(2)29-17-7-16(26-27-17)28-9-23-15-6-13(20)18(25-19(15)28)24-11(3)14-5-4-12(21)8-22-14/h4-11H,1-3H3,(H,24,25)(H,26,27)/t11-/m0/s1
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n/an/a 4n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98012
PNG
(US8486966, 5)
Show SMILES C[C@H](Nc1ncc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H17FN8/c1-10(13-5-4-12(19)7-20-13)23-18-21-8-15-17(24-18)27(9-22-15)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t10-/m0/s1
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n/an/a 5n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98017
PNG
(US8486966, 13)
Show SMILES CC[C@H](Nc1ccc2ncn(-c3cc(OC(C)C)[nH]n3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C20H22FN7O/c1-4-14(15-6-5-13(21)10-22-15)24-17-8-7-16-20(25-17)28(11-23-16)18-9-19(27-26-18)29-12(2)3/h5-12,14H,4H2,1-3H3,(H,24,25)(H,26,27)/t14-/m0/s1
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n/an/a 6n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98011
PNG
(US8486966, 4)
Show SMILES C[C@H](Nc1ncc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H16FN9/c1-9(15-19-5-11(18)6-20-15)23-17-21-7-13-16(24-17)27(8-22-13)14-4-12(25-26-14)10-2-3-10/h4-10H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t9-/m0/s1
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n/an/a 12n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98020
PNG
(US8486966, 17)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc(C)[nH]n3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C17H16FN7/c1-10-7-16(24-23-10)25-9-20-14-5-6-15(22-17(14)25)21-11(2)13-4-3-12(18)8-19-13/h3-9,11H,1-2H3,(H,21,22)(H,23,24)/t11-/m0/s1
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n/an/a 14n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50392790
PNG
(CHEMBL2151320 | US8486966, 16)
Show SMILES C[C@H](Nc1ccc2ncn(-c3cc(C)[nH]n3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H15FN8/c1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-8,10H,1-2H3,(H,21,22)(H,23,24)/t10-/m0/s1
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n/an/a 61n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98024
PNG
(US8486966, 21)
Show SMILES COc1nc(N[C@@H](C)c2ccc(F)cn2)nc2n(cnc12)-c1cc(C)[nH]n1 |r|
Show InChI InChI=1S/C17H17FN8O/c1-9-6-13(25-24-9)26-8-20-14-15(26)22-17(23-16(14)27-3)21-10(2)12-5-4-11(18)7-19-12/h4-8,10H,1-3H3,(H,24,25)(H,21,22,23)/t10-/m0/s1
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n/an/a 96n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98021
PNG
(US8486966, 18)
Show SMILES C[C@H](Nc1ncc2ncn(-c3cc(C)[nH]n3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C16H15FN8/c1-9-5-14(24-23-9)25-8-20-13-7-19-16(22-15(13)25)21-10(2)12-4-3-11(17)6-18-12/h3-8,10H,1-2H3,(H,23,24)(H,19,21,22)/t10-/m0/s1
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n/an/a 311n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98023
PNG
(US8486966, 20)
Show SMILES C[C@H](Nc1nc(NC2CCOCC2)c2ncn(-c3cc(C)[nH]n3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C21H24FN9O/c1-12-9-17(30-29-12)31-11-24-18-19(26-15-5-7-32-8-6-15)27-21(28-20(18)31)25-13(2)16-4-3-14(22)10-23-16/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,29,30)(H2,25,26,27,28)/t13-/m0/s1
PDB
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PC cid
PC sid
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US Patent
n/an/a 475n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98025
PNG
(US8486966, 22)
Show SMILES C[C@H](Nc1nc(N2CCOCC2)c2ncn(-c3cc(C)[nH]n3)c2n1)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C20H22FN9O/c1-12-9-16(28-27-12)30-11-23-17-18(29-5-7-31-8-6-29)25-20(26-19(17)30)24-13(2)15-4-3-14(21)10-22-15/h3-4,9-11,13H,5-8H2,1-2H3,(H,27,28)(H,24,25,26)/t13-/m0/s1
PDB
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US Patent
n/an/a 773n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98019
PNG
(US8486966, 15)
Show SMILES C[C@H](Nc1nc2n(cnc2cc1F)-c1cc(C)[nH]n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C16H14F2N8/c1-8-3-13(25-24-8)26-7-21-12-4-11(18)15(23-16(12)26)22-9(2)14-19-5-10(17)6-20-14/h3-7,9H,1-2H3,(H,22,23)(H,24,25)/t9-/m0/s1
PDB
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US Patent
n/an/a 3.81E+3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM98022
PNG
(US8486966, 19)
Show SMILES C[C@H](Nc1nc(C(=O)N2CCOCC2)c2ncn(-c3cc(C)[nH]n3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C20H21FN10O2/c1-11-7-14(29-28-11)31-10-24-15-16(19(32)30-3-5-33-6-4-30)26-20(27-18(15)31)25-12(2)17-22-8-13(21)9-23-17/h7-10,12H,3-6H2,1-2H3,(H,28,29)(H,25,26,27)/t12-/m0/s1
PDB
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US Patent
n/an/a 7.25E+3n/an/an/an/an/a25



Astrazeneca AB

US Patent


Assay Description
JAK2 and Trk A kinase activity was determined by measuring the kinase's ability to phoshorylate synthetic tyrosine residues within a generic poly...

US Patent US8486966 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K7X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%