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Patent code US10647694

Compile Data Set for Download or QSAR
Found 45 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))		BDBM441913
PNG
(US10647694, Example 3 | US10647694, Example 40 | U...)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-16(2)36(33,34)24-8-6-5-7-21(24)30-25-20(27)15-29-26(32-25)31-22-13-17(3)19(14-23(22)35-4)18-9-11-28-12-10-18/h5-8,13-16,18,28H,9-12H2,1-4H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441914
PNG
(US10647694, Example 4)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Br)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32BrN5O3S/c1-16(2)36(33,34)24-8-6-5-7-21(24)30-25-20(27)15-29-26(32-25)31-22-13-17(3)19(14-23(22)35-4)18-9-11-28-12-10-18/h5-8,13-16,18,28H,9-12H2,1-4H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441932
PNG
(US10647694, Example 20)
Show SMILES CCOc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C26H32ClN5O3S/c1-4-35-23-15-19(18-11-13-28-14-12-18)9-10-21(23)31-26-29-16-20(27)25(32-26)30-22-7-5-6-8-24(22)36(33,34)17(2)3/h5-10,15-18,28H,4,11-14H2,1-3H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441951
PNG
(US10647694, Example 39)
Show SMILES COc1cc(ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C24H30N6O3S/c1-16(2)34(31,32)22-7-5-4-6-20(22)29-24-27-15-26-23(30-24)28-19-9-8-18(14-21(19)33-3)17-10-12-25-13-11-17/h4-9,14-17,25H,10-13H2,1-3H3,(H2,26,27,28,29,30)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50242742
PNG
(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 5.5n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441924
PNG
(US10647694, Example 12)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(C=C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H35N5O3S/c1-6-20-17-30-28(33-27(20)31-23-9-7-8-10-26(23)37(34,35)18(2)3)32-24-15-19(4)22(16-25(24)36-5)21-11-13-29-14-12-21/h6-10,15-18,21,29H,1,11-14H2,2-5H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441918
PNG
(US10647694, Example 7)
Show SMILES COc1cnc(Nc2cc(C)c(cc2OC)C2CCNCC2)nc1Nc1ccccc1S(=O)(=O)C(C)C
Show InChI InChI=1S/C27H35N5O4S/c1-17(2)37(33,34)25-9-7-6-8-21(25)30-26-24(36-5)16-29-27(32-26)31-22-14-18(3)20(15-23(22)35-4)19-10-12-28-13-11-19/h6-9,14-17,19,28H,10-13H2,1-5H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441953
PNG
(US10647694, Example 41 | US10647694, Example 42)
Show SMILES COc1cc(ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNCC1
Show InChI InChI=1S/C23H29N7O3S/c1-16(2)34(31,32)21-7-5-4-6-19(21)28-23-26-15-25-22(29-23)27-18-9-8-17(14-20(18)33-3)30-12-10-24-11-13-30/h4-9,14-16,24H,10-13H2,1-3H3,(H2,25,26,27,28,29)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441913
PNG
(US10647694, Example 3 | US10647694, Example 40 | U...)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-16(2)36(33,34)24-8-6-5-7-21(24)30-25-20(27)15-29-26(32-25)31-22-13-17(3)19(14-23(22)35-4)18-9-11-28-12-10-18/h5-8,13-16,18,28H,9-12H2,1-4H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441931
PNG
(US10647694, Example 19)
Show SMILES CCOc1cc(C2CCNCC2)c(Cl)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31Cl2N5O3S/c1-4-36-23-13-18(17-9-11-29-12-10-17)19(27)14-22(23)32-26-30-15-20(28)25(33-26)31-21-7-5-6-8-24(21)37(34,35)16(2)3/h5-8,13-17,29H,4,9-12H2,1-3H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441929
PNG
(US10647694, Example 17)
Show SMILES COc1cc(N2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H31ClN6O3S/c1-16(2)36(33,34)23-8-6-5-7-19(23)29-24-18(26)15-28-25(31-24)30-20-13-17(3)21(14-22(20)35-4)32-11-9-27-10-12-32/h5-8,13-16,27H,9-12H2,1-4H3,(H2,28,29,30,31)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441915
PNG
(US10647694, Example 5)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C27H32F3N5O3S/c1-16(2)39(36,37)24-8-6-5-7-21(24)33-25-20(27(28,29)30)15-32-26(35-25)34-22-13-17(3)19(14-23(22)38-4)18-9-11-31-12-10-18/h5-8,13-16,18,31H,9-12H2,1-4H3,(H2,32,33,34,35)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441949
PNG
(US10647694, Example 38 | US10647694, Example 41)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C25H31ClN5O2P/c1-16-13-21(22(33-2)14-18(16)17-9-11-27-12-10-17)30-25-28-15-19(26)24(31-25)29-20-7-5-6-8-23(20)34(3,4)32/h5-8,13-15,17,27H,9-12H2,1-4H3,(H2,28,29,30,31)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441927
PNG
(US10647694, Example 15)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C25H30ClN5O3S/c1-16(2)35(32,33)23-7-5-4-6-21(23)29-24-19(26)15-28-25(31-24)30-20-9-8-18(14-22(20)34-3)17-10-12-27-13-11-17/h4-9,14-17,27H,10-13H2,1-3H3,(H2,28,29,30,31)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441949
PNG
(US10647694, Example 38 | US10647694, Example 41)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C25H31ClN5O2P/c1-16-13-21(22(33-2)14-18(16)17-9-11-27-12-10-17)30-25-28-15-19(26)24(31-25)29-20-7-5-6-8-23(20)34(3,4)32/h5-8,13-15,17,27H,9-12H2,1-4H3,(H2,28,29,30,31)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441916
PNG
(US10647694, Example 6)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(C#N)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32N6O3S/c1-17(2)37(34,35)25-8-6-5-7-22(25)31-26-20(15-28)16-30-27(33-26)32-23-13-18(3)21(14-24(23)36-4)19-9-11-29-12-10-19/h5-8,13-14,16-17,19,29H,9-12H2,1-4H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441926
PNG
(US10647694, Example 14)
Show SMILES CCOc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H34ClN5O3S/c1-5-36-24-15-20(19-10-12-29-13-11-19)18(4)14-23(24)32-27-30-16-21(28)26(33-27)31-22-8-6-7-9-25(22)37(34,35)17(2)3/h6-9,14-17,19,29H,5,10-13H2,1-4H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441930
PNG
(US10647694, Example 18)
Show SMILES COc1cc(C2CCNCC2)c(Cl)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H29Cl2N5O3S/c1-15(2)36(33,34)23-7-5-4-6-20(23)30-24-19(27)14-29-25(32-24)31-21-13-18(26)17(12-22(21)35-3)16-8-10-28-11-9-16/h4-7,12-16,28H,8-11H2,1-3H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441933
PNG
(US10647694, Example 21)
Show SMILES COc1cc(C2CCNCC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H29ClFN5O3S/c1-15(2)36(33,34)23-7-5-4-6-20(23)30-24-18(26)14-29-25(32-24)31-21-13-19(27)17(12-22(21)35-3)16-8-10-28-11-9-16/h4-7,12-16,28H,8-11H2,1-3H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441925
PNG
(US10647694, Example 13)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(C#C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33N5O3S/c1-6-20-17-30-28(33-27(20)31-23-9-7-8-10-26(23)37(34,35)18(2)3)32-24-15-19(4)22(16-25(24)36-5)21-11-13-29-14-12-21/h1,7-10,15-18,21,29H,11-14H2,2-5H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441934
PNG
(US10647694, Example 22)
Show SMILES COc1cc(C2CCNCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C26H29ClF3N5O3S/c1-15(2)39(36,37)23-7-5-4-6-20(23)33-24-19(27)14-32-25(35-24)34-21-13-18(26(28,29)30)17(12-22(21)38-3)16-8-10-31-11-9-16/h4-7,12-16,31H,8-11H2,1-3H3,(H2,32,33,34,35)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441946
PNG
(US10647694, Example 34)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCC(N)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-20(2)42(39,40)28-7-5-4-6-26(28)34-29-24(31)19-33-30(36-29)35-25-9-8-23(18-27(25)41-3)38-16-12-22(13-17-38)37-14-10-21(32)11-15-37/h4-9,18-22H,10-17,32H2,1-3H3,(H2,33,34,35,36)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441953
PNG
(US10647694, Example 41 | US10647694, Example 42)
Show SMILES COc1cc(ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNCC1
Show InChI InChI=1S/C23H29N7O3S/c1-16(2)34(31,32)21-7-5-4-6-19(21)28-23-26-15-25-22(29-23)27-18-9-8-17(14-20(18)33-3)30-12-10-24-11-13-30/h4-9,14-16,24H,10-13H2,1-3H3,(H2,25,26,27,28,29)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441913
PNG
(US10647694, Example 3 | US10647694, Example 40 | U...)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-16(2)36(33,34)24-8-6-5-7-21(24)30-25-20(27)15-29-26(32-25)31-22-13-17(3)19(14-23(22)35-4)18-9-11-28-12-10-18/h5-8,13-16,18,28H,9-12H2,1-4H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441922
PNG
(US10647694, Example 10)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(c(Nc2ccccc2S(=O)(=O)C(C)C)n1)[N+]([O-])=O
Show InChI InChI=1S/C26H32N6O5S/c1-16(2)38(35,36)24-8-6-5-7-20(24)29-25-22(32(33)34)15-28-26(31-25)30-21-13-17(3)19(14-23(21)37-4)18-9-11-27-12-10-18/h5-8,13-16,18,27H,9-12H2,1-4H3,(H2,28,29,30,31)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441928
PNG
(US10647694, Example 16)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNCC1
Show InChI InChI=1S/C24H29ClN6O3S/c1-16(2)35(32,33)22-7-5-4-6-20(22)28-23-18(25)15-27-24(30-23)29-19-9-8-17(14-21(19)34-3)31-12-10-26-11-13-31/h4-9,14-16,26H,10-13H2,1-3H3,(H2,27,28,29,30)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441935
PNG
(US10647694, Example 23)
Show SMILES COc1cc(C2CCNCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C#N
Show InChI InChI=1S/C26H29ClN6O3S/c1-16(2)37(34,35)24-7-5-4-6-21(24)31-25-20(27)15-30-26(33-25)32-22-12-18(14-28)19(13-23(22)36-3)17-8-10-29-11-9-17/h4-7,12-13,15-17,29H,8-11H2,1-3H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441945
PNG
(US10647694, Example 33)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCSCC1
Show InChI InChI=1S/C29H37ClN6O3S2/c1-20(2)41(37,38)27-7-5-4-6-25(27)32-28-23(30)19-31-29(34-28)33-24-9-8-22(18-26(24)39-3)35-12-10-21(11-13-35)36-14-16-40-17-15-36/h4-9,18-21H,10-17H2,1-3H3,(H2,31,32,33,34)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441910
PNG
(US10647694, Example 1)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1nccc(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H33N5O3S/c1-17(2)35(32,33)24-8-6-5-7-21(24)29-25-11-14-28-26(31-25)30-22-15-18(3)20(16-23(22)34-4)19-9-12-27-13-10-19/h5-8,11,14-17,19,27H,9-10,12-13H2,1-4H3,(H2,28,29,30,31)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441911
PNG
(US10647694, Example 2)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32FN5O3S/c1-16(2)36(33,34)24-8-6-5-7-21(24)30-25-20(27)15-29-26(32-25)31-22-13-17(3)19(14-23(22)35-4)18-9-11-28-12-10-18/h5-8,13-16,18,28H,9-12H2,1-4H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441919
PNG
(US10647694, Example 8)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H35N5O3S/c1-17(2)36(33,34)25-9-7-6-8-22(25)30-26-19(4)16-29-27(32-26)31-23-14-18(3)21(15-24(23)35-5)20-10-12-28-13-11-20/h6-9,14-17,20,28H,10-13H2,1-5H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441921
PNG
(US10647694, Example 9)
Show SMILES CCc1cnc(Nc2cc(C)c(cc2OC)C2CCNCC2)nc1Nc1ccccc1S(=O)(=O)C(C)C
Show InChI InChI=1S/C28H37N5O3S/c1-6-20-17-30-28(33-27(20)31-23-9-7-8-10-26(23)37(34,35)18(2)3)32-24-15-19(4)22(16-25(24)36-5)21-11-13-29-14-12-21/h7-10,15-18,21,29H,6,11-14H2,1-5H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441947
PNG
(US10647694, Example 35)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C29H37ClN6O4S/c1-20(2)41(37,38)27-7-5-4-6-25(27)32-28-23(30)19-31-29(34-28)33-24-9-8-22(18-26(24)39-3)35-12-10-21(11-13-35)36-14-16-40-17-15-36/h4-9,18-21H,10-17H2,1-3H3,(H2,31,32,33,34)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441944
PNG
(US10647694, Example 32)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccsc2n1
Show InChI InChI=1S/C28H33N5O3S2/c1-17(2)38(34,35)25-8-6-5-7-22(25)30-26-20-11-14-37-27(20)33-28(32-26)31-23-15-18(3)21(16-24(23)36-4)19-9-12-29-13-10-19/h5-8,11,14-17,19,29H,9-10,12-13H2,1-4H3,(H2,30,31,32,33)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441940
PNG
(US10647694, Example 28)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccccc2n1)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C33H40N6O4S/c1-23(2)44(40,41)31-11-7-6-10-29(31)34-32-26-8-4-5-9-27(26)35-33(37-32)36-28-13-12-25(22-30(28)42-3)38-16-14-24(15-17-38)39-18-20-43-21-19-39/h4-13,22-24H,14-21H2,1-3H3,(H2,34,35,36,37)
PDB

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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441937
PNG
(US10647694, Example 25)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]ccc2n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H42N8O3S/c1-22(2)44(41,42)29-8-6-5-7-26(29)34-31-30-27(11-14-33-30)36-32(37-31)35-25-10-9-24(21-28(25)43-4)39-15-12-23(13-16-39)40-19-17-38(3)18-20-40/h5-11,14,21-23,33H,12-13,15-20H2,1-4H3,(H2,34,35,36,37)
PDB

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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441913
PNG
(US10647694, Example 3 | US10647694, Example 40 | U...)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-16(2)36(33,34)24-8-6-5-7-21(24)30-25-20(27)15-29-26(32-25)31-22-13-17(3)19(14-23(22)35-4)18-9-11-28-12-10-18/h5-8,13-16,18,28H,9-12H2,1-4H3,(H2,29,30,31,32)
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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441956
PNG
(US10647694, Example 44)
Show SMILES CCc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1C1CCNCC1
Show InChI InChI=1S/C27H34ClN5O3S/c1-5-18-14-23(24(36-4)15-20(18)19-10-12-29-13-11-19)32-27-30-16-21(28)26(33-27)31-22-8-6-7-9-25(22)37(34,35)17(2)3/h6-9,14-17,19,29H,5,10-13H2,1-4H3,(H2,30,31,32,33)
PDB

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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441939
PNG
(US10647694, Example 27)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2sccc2n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C29H36N6O3S2/c1-19(2)40(36,37)26-9-7-6-8-23(26)30-28-27-24(14-17-39-27)32-29(33-28)31-22-11-10-21(18-25(22)38-5)35-15-12-20(13-16-35)34(3)4/h6-11,14,17-20H,12-13,15-16H2,1-5H3,(H2,30,31,32,33)
PDB

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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441938
PNG
(US10647694, Example 26)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccsc2n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C29H36N6O3S2/c1-19(2)40(36,37)26-9-7-6-8-24(26)30-27-22-14-17-39-28(22)33-29(32-27)31-23-11-10-21(18-25(23)38-5)35-15-12-20(13-16-35)34(3)4/h6-11,14,17-20H,12-13,15-16H2,1-5H3,(H2,30,31,32,33)
PDB

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ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441936
PNG
(US10647694, Example 24)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H42N8O3S/c1-22(2)44(41,42)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)43-4)39-15-12-23(13-16-39)40-19-17-38(3)18-20-40/h5-11,14,21-23H,12-13,15-20H2,1-4H3,(H3,33,34,35,36,37)
PDB

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n/an/a 55n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441943
PNG
(US10647694, Example 31)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]ccc2n1
Show InChI InChI=1S/C28H34N6O3S/c1-17(2)38(35,36)25-8-6-5-7-21(25)31-27-26-22(11-14-30-26)32-28(34-27)33-23-15-18(3)20(16-24(23)37-4)19-9-12-29-13-10-19/h5-8,11,14-17,19,29-30H,9-10,12-13H2,1-4H3,(H2,31,32,33,34)
PDB

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n/an/a 55n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441942
PNG
(US10647694, Example 30)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
Show InChI InChI=1S/C28H34N6O3S/c1-17(2)38(35,36)25-8-6-5-7-22(25)31-27-20-11-14-30-26(20)33-28(34-27)32-23-15-18(3)21(16-24(23)37-4)19-9-12-29-13-10-19/h5-8,11,14-17,19,29H,9-10,12-13H2,1-4H3,(H3,30,31,32,33,34)
PDB

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n/an/a 55n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441923
PNG
(US10647694, Example 11)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1ncc(c(Nc2ccccc2S(=O)(=O)C(C)C)n1)-c1ccccc1
Show InChI InChI=1S/C32H37N5O3S/c1-21(2)41(38,39)30-13-9-8-12-27(30)35-31-26(23-10-6-5-7-11-23)20-34-32(37-31)36-28-18-22(3)25(19-29(28)40-4)24-14-16-33-17-15-24/h5-13,18-21,24,33H,14-17H2,1-4H3,(H2,34,35,36,37)
PDB

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n/an/a 55n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM441941
PNG
(US10647694, Example 29)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H35N5O3S/c1-19(2)39(36,37)28-12-8-7-11-25(28)32-29-22-9-5-6-10-24(22)33-30(35-29)34-26-17-20(3)23(18-27(26)38-4)21-13-15-31-16-14-21/h5-12,17-19,21,31H,13-16H2,1-4H3,(H2,32,33,34,35)
PDB

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UniProtKB/SwissProt

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n/an/a 55n/an/an/an/an/an/a



ARROMAX PHARMATECH CO., LTD.

US Patent


Assay Description
The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...

US Patent US10647694 (2020)

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