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Patent code US10336734

Compile Data Set for Download or QSAR
Found 12 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM406408
PNG
(US10336734, Example 21)
Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30)
PDB

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n/an/a 2n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM406407
PNG
(US10336734, Example 20)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31)
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n/an/a 7n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))		BDBM406408
PNG
(US10336734, Example 21)
Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30)
PDB
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n/an/a 24n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))		BDBM406407
PNG
(US10336734, Example 20)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31)
PDB
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n/an/a 27n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM406409
PNG
(US10336734, Example 26)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NC[C@H]2CCCO2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C21H29ClN6O2/c1-27-7-9-28(10-8-27)15-5-6-18(19(12-15)29-2)25-21-24-14-17(22)20(26-21)23-13-16-4-3-11-30-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))		BDBM406409
PNG
(US10336734, Example 26)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NC[C@H]2CCCO2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C21H29ClN6O2/c1-27-7-9-28(10-8-27)15-5-6-18(19(12-15)29-2)25-21-24-14-17(22)20(26-21)23-13-16-4-3-11-30-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1
PDB
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n/an/a 39n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM406408
PNG
(US10336734, Example 21)
Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30)
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n/an/a 860n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM406409
PNG
(US10336734, Example 26)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NC[C@H]2CCCO2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C21H29ClN6O2/c1-27-7-9-28(10-8-27)15-5-6-18(19(12-15)29-2)25-21-24-14-17(22)20(26-21)23-13-16-4-3-11-30-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM406407
PNG
(US10336734, Example 20)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31)
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n/an/a 1.72E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM406408
PNG
(US10336734, Example 21)
Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30)
PDB
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n/an/a 8.25E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM406407
PNG
(US10336734, Example 20)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31)
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n/an/a 1.15E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM406409
PNG
(US10336734, Example 26)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NC[C@H]2CCCO2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C21H29ClN6O2/c1-27-7-9-28(10-8-27)15-5-6-18(19(12-15)29-2)25-21-24-14-17(22)20(26-21)23-13-16-4-3-11-30-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1
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n/an/a 1.68E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.

US Patent US10336734 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D4P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%