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Patent code US10100019

Compile Data Set for Download or QSAR
Found 177 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))
BDBM291934
PNG
(US10100019, Example 4)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H26ClN5O3S/c1-14(2)32(29,30)20-7-5-4-6-17(20)26-21-16(23)13-25-22(28-21)27-18-12-15(10-11-24)8-9-19(18)31-3/h4-9,12-14H,10-11,24H2,1-3H3,(H2,25,26,27,28)
PDB

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US Patent
n/an/a 0.440n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291943
PNG
(US10100019, Example 13)
Show SMILES CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C24H30ClN5O3S/c1-5-26-13-12-17-10-11-21(33-4)20(14-17)29-24-27-15-18(25)23(30-24)28-19-8-6-7-9-22(19)34(31,32)16(2)3/h6-11,14-16,26H,5,12-13H2,1-4H3,(H2,27,28,29,30)
PDB

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UniChem
US Patent
n/an/a 0.840n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291934
PNG
(US10100019, Example 4)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H26ClN5O3S/c1-14(2)32(29,30)20-7-5-4-6-17(20)26-21-16(23)13-25-22(28-21)27-18-12-15(10-11-24)8-9-19(18)31-3/h4-9,12-14H,10-11,24H2,1-3H3,(H2,25,26,27,28)
PDB
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UniChem
US Patent
n/an/a 0.850n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291954
PNG
(US10100019, Example 24)
Show SMILES COC(=O)CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C26H32ClN5O5S/c1-17(2)38(34,35)23-8-6-5-7-20(23)30-25-19(27)16-29-26(32-25)31-21-15-18(9-10-22(21)36-3)11-13-28-14-12-24(33)37-4/h5-10,15-17,28H,11-14H2,1-4H3,(H2,29,30,31,32)
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US Patent
n/an/a 0.880n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291951
PNG
(US10100019, Example 21)
Show SMILES COc1ccc(CCN2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H34ClN5O3S/c1-19(2)37(34,35)25-10-6-5-9-22(25)30-26-21(28)18-29-27(32-26)31-23-17-20(11-12-24(23)36-3)13-16-33-14-7-4-8-15-33/h5-6,9-12,17-19H,4,7-8,13-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 1n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM292002
PNG
(US10100019, Example 73)
Show SMILES COc1ccc(CCN2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H33ClN6O3S/c1-18(2)37(34,35)24-7-5-4-6-21(24)30-25-20(27)17-29-26(32-25)31-22-16-19(8-9-23(22)36-3)10-13-33-14-11-28-12-15-33/h4-9,16-18,28H,10-15H2,1-3H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291994
PNG
(US10100019, Example 64)
Show SMILES CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-11-9-8-10-19(22)29-23-18(26)14-28-24(31-23)30-20-12-16(3)17(13-21(20)34-7)25(4,5)27-6/h8-15,27H,1-7H3,(H2,28,29,30,31)
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US Patent
n/an/a 1.20n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291988
PNG
(US10100019, Example 58)
Show SMILES COc1cc(CCN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H32ClN5O3S/c1-16(2)35(32,33)23-10-8-7-9-20(23)28-24-19(26)15-27-25(30-24)29-21-13-17(3)18(11-12-31(4)5)14-22(21)34-6/h7-10,13-16H,11-12H2,1-6H3,(H2,27,28,29,30)
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291994
PNG
(US10100019, Example 64)
Show SMILES CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-11-9-8-10-19(22)29-23-18(26)14-28-24(31-23)30-20-12-16(3)17(13-21(20)34-7)25(4,5)27-6/h8-15,27H,1-7H3,(H2,28,29,30,31)
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291988
PNG
(US10100019, Example 58)
Show SMILES COc1cc(CCN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H32ClN5O3S/c1-16(2)35(32,33)23-10-8-7-9-20(23)28-24-19(26)15-27-25(30-24)29-21-13-17(3)18(11-12-31(4)5)14-22(21)34-6/h7-10,13-16H,11-12H2,1-6H3,(H2,27,28,29,30)
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US Patent
n/an/a 1.40n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291996
PNG
(US10100019, Example 66)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N(C)C
Show InChI InChI=1S/C26H34ClN5O3S/c1-16(2)36(33,34)23-12-10-9-11-20(23)29-24-19(27)15-28-25(31-24)30-21-13-17(3)18(14-22(21)35-8)26(4,5)32(6)7/h9-16H,1-8H3,(H2,28,29,30,31)
PDB
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UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291987
PNG
(US10100019, Example 57)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N
Show InChI InChI=1S/C24H30ClN5O3S/c1-14(2)34(31,32)21-10-8-7-9-18(21)28-22-17(25)13-27-23(30-22)29-19-11-15(3)16(24(4,5)26)12-20(19)33-6/h7-14H,26H2,1-6H3,(H2,27,28,29,30)
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US Patent
n/an/a 1.5n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291993
PNG
(US10100019, Example 63)
Show SMILES CNCCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-9-7-6-8-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16(3)17(10-11-26-4)13-21(20)33-5/h6-9,12-15,26H,10-11H2,1-5H3,(H2,27,28,29,30)
PDB

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US Patent
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291990
PNG
(US10100019, Example 60)
Show SMILES CNCC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C26H34ClN5O3S/c1-16(2)36(33,34)23-11-9-8-10-20(23)30-24-19(27)14-29-25(32-24)31-21-12-17(3)18(13-22(21)35-7)26(4,5)15-28-6/h8-14,16,28H,15H2,1-7H3,(H2,29,30,31,32)
PDB

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US Patent
n/an/a 1.5n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291987
PNG
(US10100019, Example 57)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N
Show InChI InChI=1S/C24H30ClN5O3S/c1-14(2)34(31,32)21-10-8-7-9-18(21)28-22-17(25)13-27-23(30-22)29-19-11-15(3)16(24(4,5)26)12-20(19)33-6/h7-14H,26H2,1-6H3,(H2,27,28,29,30)
PDB
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UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291990
PNG
(US10100019, Example 60)
Show SMILES CNCC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C26H34ClN5O3S/c1-16(2)36(33,34)23-11-9-8-10-20(23)30-24-19(27)14-29-25(32-24)31-21-12-17(3)18(13-22(21)35-7)26(4,5)15-28-6/h8-14,16,28H,15H2,1-7H3,(H2,29,30,31,32)
PDB
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US Patent
n/an/a 1.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291985
PNG
(US10100019, Example 55)
Show SMILES COc1cc(CCN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O3S/c1-14(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)13-26-23(29-22)28-19-11-15(3)16(9-10-25)12-20(19)32-4/h5-8,11-14H,9-10,25H2,1-4H3,(H2,26,27,28,29)
PDB
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UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM292001
PNG
(US10100019, Example 72)
Show SMILES CNCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C23H28ClN5O3S/c1-14(2)33(30,31)21-9-7-6-8-18(21)27-22-17(24)13-26-23(29-22)28-19-10-15(3)16(12-25-4)11-20(19)32-5/h6-11,13-14,25H,12H2,1-5H3,(H2,26,27,28,29)
PDB

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US Patent
n/an/a 1.74n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291985
PNG
(US10100019, Example 55)
Show SMILES COc1cc(CCN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O3S/c1-14(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)13-26-23(29-22)28-19-11-15(3)16(9-10-25)12-20(19)32-4/h5-8,11-14H,9-10,25H2,1-4H3,(H2,26,27,28,29)
PDB
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UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291944
PNG
(US10100019, Example 14)
Show SMILES CCN(CC)CCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C26H34ClN5O3S/c1-6-32(7-2)15-14-19-12-13-23(35-5)22(16-19)30-26-28-17-20(27)25(31-26)29-21-10-8-9-11-24(21)36(33,34)18(3)4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H2,28,29,30,31)
PDB

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UniChem
US Patent
n/an/a 1.90n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291993
PNG
(US10100019, Example 63)
Show SMILES CNCCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-9-7-6-8-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16(3)17(10-11-26-4)13-21(20)33-5/h6-9,12-15,26H,10-11H2,1-5H3,(H2,27,28,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291994
PNG
(US10100019, Example 64)
Show SMILES CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-11-9-8-10-19(22)29-23-18(26)14-28-24(31-23)30-20-12-16(3)17(13-21(20)34-7)25(4,5)27-6/h8-15,27H,1-7H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291997
PNG
(US10100019, Example 68)
Show SMILES COc1cc(CN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H26ClN5O3S/c1-13(2)32(29,30)20-8-6-5-7-17(20)26-21-16(23)12-25-22(28-21)27-18-9-14(3)15(11-24)10-19(18)31-4/h5-10,12-13H,11,24H2,1-4H3,(H2,25,26,27,28)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291998
PNG
(US10100019, Example 69)
Show SMILES COc1cc(C[N+](C)(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H33ClN5O3S/c1-16(2)35(32,33)23-11-9-8-10-20(23)28-24-19(26)14-27-25(30-24)29-21-12-17(3)18(13-22(21)34-7)15-31(4,5)6/h8-14,16H,15H2,1-7H3,(H2,27,28,29,30)/q+1
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291998
PNG
(US10100019, Example 69)
Show SMILES COc1cc(C[N+](C)(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H33ClN5O3S/c1-16(2)35(32,33)23-11-9-8-10-20(23)28-24-19(26)14-27-25(30-24)29-21-12-17(3)18(13-22(21)34-7)15-31(4,5)6/h8-14,16H,15H2,1-7H3,(H2,27,28,29,30)/q+1
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291959
PNG
(US10100019, Example 29)
Show SMILES COc1ccc(CN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C21H24ClN5O3S/c1-13(2)31(28,29)19-7-5-4-6-16(19)25-20-15(22)12-24-21(27-20)26-17-10-14(11-23)8-9-18(17)30-3/h4-10,12-13H,11,23H2,1-3H3,(H2,24,25,26,27)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291997
PNG
(US10100019, Example 68)
Show SMILES COc1cc(CN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H26ClN5O3S/c1-13(2)32(29,30)20-8-6-5-7-17(20)26-21-16(23)12-25-22(28-21)27-18-9-14(3)15(11-24)10-19(18)31-4/h5-10,12-13H,11,24H2,1-4H3,(H2,25,26,27,28)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291999
PNG
(US10100019, Example 70)
Show SMILES COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-10-8-7-9-19(22)27-23-18(25)13-26-24(29-23)28-20-11-16(3)17(14-30(4)5)12-21(20)33-6/h7-13,15H,14H2,1-6H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291991
PNG
(US10100019, Example 61)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)NC=O
Show InChI InChI=1S/C25H30ClN5O4S/c1-15(2)36(33,34)22-10-8-7-9-19(22)29-23-18(26)13-27-24(31-23)30-20-11-16(3)17(12-21(20)35-6)25(4,5)28-14-32/h7-15H,1-6H3,(H,28,32)(H2,27,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291971
PNG
(US10100019, Example 41)
Show SMILES COc1ccc(CCCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O3S/c1-15(2)33(30,31)21-9-5-4-8-18(21)27-22-17(24)14-26-23(29-22)28-19-13-16(7-6-12-25)10-11-20(19)32-3/h4-5,8-11,13-15H,6-7,12,25H2,1-3H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM292001
PNG
(US10100019, Example 72)
Show SMILES CNCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C23H28ClN5O3S/c1-14(2)33(30,31)21-9-7-6-8-18(21)27-22-17(24)13-26-23(29-22)28-19-10-15(3)16(12-25-4)11-20(19)32-5/h6-11,13-14,25H,12H2,1-5H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291995
PNG
(US10100019, Example 65)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN(C)C
Show InChI InChI=1S/C27H36ClN5O3S/c1-17(2)37(34,35)24-12-10-9-11-21(24)30-25-20(28)15-29-26(32-25)31-22-13-18(3)19(14-23(22)36-8)27(4,5)16-33(6)7/h9-15,17H,16H2,1-8H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291988
PNG
(US10100019, Example 58)
Show SMILES COc1cc(CCN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H32ClN5O3S/c1-16(2)35(32,33)23-10-8-7-9-20(23)28-24-19(26)15-27-25(30-24)29-21-13-17(3)18(11-12-31(4)5)14-22(21)34-6/h7-10,13-16H,11-12H2,1-6H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291934
PNG
(US10100019, Example 4)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H26ClN5O3S/c1-14(2)32(29,30)20-7-5-4-6-17(20)26-21-16(23)13-25-22(28-21)27-18-12-15(10-11-24)8-9-19(18)31-3/h4-9,12-14H,10-11,24H2,1-3H3,(H2,25,26,27,28)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291991
PNG
(US10100019, Example 61)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)NC=O
Show InChI InChI=1S/C25H30ClN5O4S/c1-15(2)36(33,34)22-10-8-7-9-19(22)29-23-18(26)13-27-24(31-23)30-20-11-16(3)17(12-21(20)35-6)25(4,5)28-14-32/h7-15H,1-6H3,(H,28,32)(H2,27,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291987
PNG
(US10100019, Example 57)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N
Show InChI InChI=1S/C24H30ClN5O3S/c1-14(2)34(31,32)21-10-8-7-9-18(21)28-22-17(25)13-27-23(30-22)29-19-11-15(3)16(24(4,5)26)12-20(19)33-6/h7-14H,26H2,1-6H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291995
PNG
(US10100019, Example 65)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN(C)C
Show InChI InChI=1S/C27H36ClN5O3S/c1-17(2)37(34,35)24-12-10-9-11-21(24)30-25-20(28)15-29-26(32-25)31-22-13-18(3)19(14-23(22)36-8)27(4,5)16-33(6)7/h9-15,17H,16H2,1-8H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291945
PNG
(US10100019, Example 15)
Show SMILES COc1ccc(CCNC(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H32ClN5O3S/c1-16(2)27-13-12-18-10-11-22(34-5)21(14-18)30-25-28-15-19(26)24(31-25)29-20-8-6-7-9-23(20)35(32,33)17(3)4/h6-11,14-17,27H,12-13H2,1-5H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291985
PNG
(US10100019, Example 55)
Show SMILES COc1cc(CCN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O3S/c1-14(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)13-26-23(29-22)28-19-11-15(3)16(9-10-25)12-20(19)32-4/h5-8,11-14H,9-10,25H2,1-4H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM292000
PNG
(US10100019, Example 71)
Show SMILES COc1cc(CNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O4S/c1-14(2)34(31,32)21-8-6-5-7-18(21)27-22-17(24)12-26-23(29-22)28-19-9-15(3)16(11-25-13-30)10-20(19)33-4/h5-10,12-14H,11H2,1-4H3,(H,25,30)(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291996
PNG
(US10100019, Example 66)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N(C)C
Show InChI InChI=1S/C26H34ClN5O3S/c1-16(2)36(33,34)23-12-10-9-11-20(23)29-24-19(27)15-28-25(31-24)30-21-13-17(3)18(14-22(21)35-8)26(4,5)32(6)7/h9-16H,1-8H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291971
PNG
(US10100019, Example 41)
Show SMILES COc1ccc(CCCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O3S/c1-15(2)33(30,31)21-9-5-4-8-18(21)27-22-17(24)14-26-23(29-22)28-19-13-16(7-6-12-25)10-11-20(19)32-3/h4-5,8-11,13-15H,6-7,12,25H2,1-3H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291986
PNG
(US10100019, Example 56)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-10-8-7-9-19(22)29-23-18(26)13-28-24(31-23)30-20-11-16(3)17(12-21(20)34-6)25(4,5)14-27/h7-13,15H,14,27H2,1-6H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291999
PNG
(US10100019, Example 70)
Show SMILES COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-10-8-7-9-19(22)27-23-18(25)13-26-24(29-23)28-20-11-16(3)17(14-30(4)5)12-21(20)33-6/h7-13,15H,14H2,1-6H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291986
PNG
(US10100019, Example 56)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-10-8-7-9-19(22)29-23-18(26)13-28-24(31-23)30-20-11-16(3)17(12-21(20)34-6)25(4,5)14-27/h7-13,15H,14,27H2,1-6H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291981
PNG
(US10100019, Example 51)
Show SMILES COc1cc(Br)c(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H25BrClN5O3S/c1-13(2)33(30,31)20-7-5-4-6-17(20)27-21-16(24)12-26-22(29-21)28-18-10-14(8-9-25)15(23)11-19(18)32-3/h4-7,10-13H,8-9,25H2,1-3H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291993
PNG
(US10100019, Example 63)
Show SMILES CNCCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-9-7-6-8-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16(3)17(10-11-26-4)13-21(20)33-5/h6-9,12-15,26H,10-11H2,1-5H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291998
PNG
(US10100019, Example 69)
Show SMILES COc1cc(C[N+](C)(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H33ClN5O3S/c1-16(2)35(32,33)23-11-9-8-10-20(23)28-24-19(26)14-27-25(30-24)29-21-12-17(3)18(13-22(21)34-7)15-31(4,5)6/h8-14,16H,15H2,1-7H3,(H2,27,28,29,30)/q+1
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291956
PNG
(US10100019, Example 26)
Show SMILES COC(=O)CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H30ClN5O5S/c1-16(2)37(33,34)22-8-6-5-7-19(22)29-24-18(26)14-28-25(31-24)30-20-13-17(9-10-21(20)35-3)11-12-27-15-23(32)36-4/h5-10,13-14,16,27H,11-12,15H2,1-4H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291995
PNG
(US10100019, Example 65)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN(C)C
Show InChI InChI=1S/C27H36ClN5O3S/c1-17(2)37(34,35)24-12-10-9-11-21(24)30-25-20(28)15-29-26(32-25)31-22-13-18(3)19(14-23(22)36-8)27(4,5)16-33(6)7/h9-15,17H,16H2,1-8H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291939
PNG
(US10100019, Example 9)
Show SMILES COc1ccc(CCN(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-16(2)34(31,32)22-9-7-6-8-19(22)27-23-18(25)15-26-24(29-23)28-20-14-17(12-13-30(3)4)10-11-21(20)33-5/h6-11,14-16H,12-13H2,1-5H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291957
PNG
(US10100019, Example 27)
Show SMILES COc1ccc(CCNCC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O5S/c1-15(2)36(33,34)21-7-5-4-6-18(21)28-23-17(25)13-27-24(30-23)29-19-12-16(8-9-20(19)35-3)10-11-26-14-22(31)32/h4-9,12-13,15,26H,10-11,14H2,1-3H3,(H,31,32)(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM292001
PNG
(US10100019, Example 72)
Show SMILES CNCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C23H28ClN5O3S/c1-14(2)33(30,31)21-9-7-6-8-18(21)27-22-17(24)13-26-23(29-22)28-19-10-15(3)16(12-25-4)11-20(19)32-5/h6-11,13-14,25H,12H2,1-5H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291990
PNG
(US10100019, Example 60)
Show SMILES CNCC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
Show InChI InChI=1S/C26H34ClN5O3S/c1-16(2)36(33,34)23-11-9-8-10-20(23)30-24-19(27)14-29-25(32-24)31-21-12-17(3)18(13-22(21)35-7)26(4,5)15-28-6/h8-14,16,28H,15H2,1-7H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291940
PNG
(US10100019, Example 10)
Show SMILES CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C23H28ClN5O3S/c1-15(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)14-26-23(29-22)28-19-13-16(11-12-25-3)9-10-20(19)32-4/h5-10,13-15,25H,11-12H2,1-4H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291992
PNG
(US10100019, Example 62)
Show SMILES COc1cc(CCNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O4S/c1-15(2)35(32,33)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16(3)17(9-10-26-14-31)12-21(20)34-4/h5-8,11-15H,9-10H2,1-4H3,(H,26,31)(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291941
PNG
(US10100019, Example 11)
Show SMILES COc1ccc(CCNCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H32ClN5O3S/c1-20(2)39(36,37)27-12-8-7-11-24(27)33-28-23(30)19-32-29(35-28)34-25-17-21(13-14-26(25)38-3)15-16-31-18-22-9-5-4-6-10-22/h4-14,17,19-20,31H,15-16,18H2,1-3H3,(H2,32,33,34,35)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291978
PNG
(US10100019, Example 48)
Show SMILES COc1ccc(CC(=O)N2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31ClN6O4S/c1-17(2)38(35,36)23-7-5-4-6-20(23)30-25-19(27)16-29-26(32-25)31-21-14-18(8-9-22(21)37-3)15-24(34)33-12-10-28-11-13-33/h4-9,14,16-17,28H,10-13,15H2,1-3H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291992
PNG
(US10100019, Example 62)
Show SMILES COc1cc(CCNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O4S/c1-15(2)35(32,33)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16(3)17(9-10-26-14-31)12-21(20)34-4/h5-8,11-15H,9-10H2,1-4H3,(H,26,31)(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM292000
PNG
(US10100019, Example 71)
Show SMILES COc1cc(CNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O4S/c1-14(2)34(31,32)21-8-6-5-7-18(21)27-22-17(24)12-26-23(29-22)28-19-9-15(3)16(11-25-13-30)10-20(19)33-4/h5-10,12-14H,11H2,1-4H3,(H,25,30)(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291982
PNG
(US10100019, Example 52)
Show SMILES COc1cc(C2=NC(C)N=C2)c(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H30ClN7O3S/c1-15(2)38(35,36)24-8-6-5-7-20(24)32-25-19(27)13-30-26(34-25)33-21-11-17(9-10-28)18(12-23(21)37-4)22-14-29-16(3)31-22/h5-8,11-16H,9-10,28H2,1-4H3,(H2,30,32,33,34)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291999
PNG
(US10100019, Example 70)
Show SMILES COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)22-10-8-7-9-19(22)27-23-18(25)13-26-24(29-23)28-20-11-16(3)17(14-30(4)5)12-21(20)33-6/h7-13,15H,14H2,1-6H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291986
PNG
(US10100019, Example 56)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
Show InChI InChI=1S/C25H32ClN5O3S/c1-15(2)35(32,33)22-10-8-7-9-19(22)29-23-18(26)13-28-24(31-23)30-20-11-16(3)17(12-21(20)34-6)25(4,5)14-27/h7-13,15H,14,27H2,1-6H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291997
PNG
(US10100019, Example 68)
Show SMILES COc1cc(CN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H26ClN5O3S/c1-13(2)32(29,30)20-8-6-5-7-17(20)26-21-16(23)12-25-22(28-21)27-18-9-14(3)15(11-24)10-19(18)31-4/h5-10,12-13H,11,24H2,1-4H3,(H2,25,26,27,28)
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n/an/a 5.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291996
PNG
(US10100019, Example 66)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N(C)C
Show InChI InChI=1S/C26H34ClN5O3S/c1-16(2)36(33,34)23-12-10-9-11-20(23)29-24-19(27)15-28-25(31-24)30-21-13-17(3)18(14-22(21)35-8)26(4,5)32(6)7/h9-16H,1-8H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM292000
PNG
(US10100019, Example 71)
Show SMILES COc1cc(CNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O4S/c1-14(2)34(31,32)21-8-6-5-7-18(21)27-22-17(24)12-26-23(29-22)28-19-9-15(3)16(11-25-13-30)10-20(19)33-4/h5-10,12-14H,11H2,1-4H3,(H,25,30)(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291989
PNG
(US10100019, Example 59)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CNC=O
Show InChI InChI=1S/C26H32ClN5O4S/c1-16(2)37(34,35)23-10-8-7-9-20(23)30-24-19(27)13-29-25(32-24)31-21-11-17(3)18(12-22(21)36-6)26(4,5)14-28-15-33/h7-13,15-16H,14H2,1-6H3,(H,28,33)(H2,29,30,31,32)
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n/an/a 6.10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291991
PNG
(US10100019, Example 61)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)NC=O
Show InChI InChI=1S/C25H30ClN5O4S/c1-15(2)36(33,34)22-10-8-7-9-19(22)29-23-18(26)13-27-24(31-23)30-20-11-16(3)17(12-21(20)35-6)25(4,5)28-14-32/h7-15H,1-6H3,(H,28,32)(H2,27,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291989
PNG
(US10100019, Example 59)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CNC=O
Show InChI InChI=1S/C26H32ClN5O4S/c1-16(2)37(34,35)23-10-8-7-9-20(23)30-24-19(27)13-29-25(32-24)31-21-11-17(3)18(12-22(21)36-6)26(4,5)14-28-15-33/h7-13,15-16H,14H2,1-6H3,(H,28,33)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291974
PNG
(US10100019, Example 44)
Show SMILES COc1ccc(CC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H23ClN4O5S/c1-13(2)33(30,31)19-7-5-4-6-16(19)25-21-15(23)12-24-22(27-21)26-17-10-14(11-20(28)29)8-9-18(17)32-3/h4-10,12-13H,11H2,1-3H3,(H,28,29)(H2,24,25,26,27)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291939
PNG
(US10100019, Example 9)
Show SMILES COc1ccc(CCN(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-16(2)34(31,32)22-9-7-6-8-19(22)27-23-18(25)15-26-24(29-23)28-20-14-17(12-13-30(3)4)10-11-21(20)33-5/h6-11,14-16H,12-13H2,1-5H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291954
PNG
(US10100019, Example 24)
Show SMILES COC(=O)CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C26H32ClN5O5S/c1-17(2)38(34,35)23-8-6-5-7-20(23)30-25-19(27)16-29-26(32-25)31-21-15-18(9-10-22(21)36-3)11-13-28-14-12-24(33)37-4/h5-10,15-17,28H,11-14H2,1-4H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291972
PNG
(US10100019, Example 42)
Show SMILES COc1ccc(CC(N)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O4S/c1-13(2)33(30,31)19-7-5-4-6-16(19)26-21-15(23)12-25-22(28-21)27-17-10-14(11-20(24)29)8-9-18(17)32-3/h4-10,12-13H,11H2,1-3H3,(H2,24,29)(H2,25,26,27,28)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291950
PNG
(US10100019, Example 20)
Show SMILES COc1ccc(CCNC(=S)NCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H33ClN6O3S2/c1-20(2)42(38,39)27-12-8-7-11-24(27)35-28-23(31)19-33-29(37-28)36-25-17-21(13-14-26(25)40-3)15-16-32-30(41)34-18-22-9-5-4-6-10-22/h4-14,17,19-20H,15-16,18H2,1-3H3,(H2,32,34,41)(H2,33,35,36,37)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291943
PNG
(US10100019, Example 13)
Show SMILES CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C24H30ClN5O3S/c1-5-26-13-12-17-10-11-21(33-4)20(14-17)29-24-27-15-18(25)23(30-24)28-19-8-6-7-9-22(19)34(31,32)16(2)3/h6-11,14-16,26H,5,12-13H2,1-4H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291957
PNG
(US10100019, Example 27)
Show SMILES COc1ccc(CCNCC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O5S/c1-15(2)36(33,34)21-7-5-4-6-18(21)28-23-17(25)13-27-24(30-23)29-19-12-16(8-9-20(19)35-3)10-11-26-14-22(31)32/h4-9,12-13,15,26H,10-11,14H2,1-3H3,(H,31,32)(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291956
PNG
(US10100019, Example 26)
Show SMILES COC(=O)CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H30ClN5O5S/c1-16(2)37(33,34)22-8-6-5-7-19(22)29-24-18(26)14-28-25(31-24)30-20-13-17(9-10-21(20)35-3)11-12-27-15-23(32)36-4/h5-10,13-14,16,27H,11-12,15H2,1-4H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291951
PNG
(US10100019, Example 21)
Show SMILES COc1ccc(CCN2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H34ClN5O3S/c1-19(2)37(34,35)25-10-6-5-9-22(25)30-26-21(28)18-29-27(32-26)31-23-17-20(11-12-24(23)36-3)13-16-33-14-7-4-8-15-33/h5-6,9-12,17-19H,4,7-8,13-16H2,1-3H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291943
PNG
(US10100019, Example 13)
Show SMILES CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C24H30ClN5O3S/c1-5-26-13-12-17-10-11-21(33-4)20(14-17)29-24-27-15-18(25)23(30-24)28-19-8-6-7-9-22(19)34(31,32)16(2)3/h6-11,14-16,26H,5,12-13H2,1-4H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291952
PNG
(US10100019, Example 22)
Show SMILES COc1ccc(CCN2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-18(2)37(33,34)24-7-5-4-6-21(24)29-25-20(27)17-28-26(31-25)30-22-16-19(8-9-23(22)35-3)10-11-32-12-14-36-15-13-32/h4-9,16-18H,10-15H2,1-3H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291937
PNG
(US10100019, Example 7)
Show SMILES COc1ccc(NC(C)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O4S/c1-13(2)33(30,31)20-8-6-5-7-17(20)26-21-16(23)12-24-22(28-21)27-18-11-15(25-14(3)29)9-10-19(18)32-4/h5-13H,1-4H3,(H,25,29)(H2,24,26,27,28)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291944
PNG
(US10100019, Example 14)
Show SMILES CCN(CC)CCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C26H34ClN5O3S/c1-6-32(7-2)15-14-19-12-13-23(35-5)22(16-19)30-26-28-17-20(27)25(31-26)29-21-10-8-9-11-24(21)36(33,34)18(3)4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291951
PNG
(US10100019, Example 21)
Show SMILES COc1ccc(CCN2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H34ClN5O3S/c1-19(2)37(34,35)25-10-6-5-9-22(25)30-26-21(28)18-29-27(32-26)31-23-17-20(11-12-24(23)36-3)13-16-33-14-7-4-8-15-33/h5-6,9-12,17-19H,4,7-8,13-16H2,1-3H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291953
PNG
(US10100019, Example 23)
Show SMILES CCNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H31ClN6O3S2/c1-5-27-25(36)28-13-12-17-10-11-21(35-4)20(14-17)31-24-29-15-18(26)23(32-24)30-19-8-6-7-9-22(19)37(33,34)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H2,27,28,36)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291954
PNG
(US10100019, Example 24)
Show SMILES COC(=O)CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C26H32ClN5O5S/c1-17(2)38(34,35)23-8-6-5-7-20(23)30-25-19(27)16-29-26(32-25)31-21-15-18(9-10-22(21)36-3)11-13-28-14-12-24(33)37-4/h5-10,15-17,28H,11-14H2,1-4H3,(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291946
PNG
(US10100019, Example 16)
Show SMILES CCNC(=O)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H31ClN6O4S/c1-5-27-25(33)28-13-12-17-10-11-21(36-4)20(14-17)31-24-29-15-18(26)23(32-24)30-19-8-6-7-9-22(19)37(34,35)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H2,27,28,33)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291938
PNG
(US10100019, Example 8)
Show SMILES COc1ccc(CCNS(C)(=O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O5S2/c1-15(2)36(32,33)21-8-6-5-7-18(21)27-22-17(24)14-25-23(29-22)28-19-13-16(9-10-20(19)34-3)11-12-26-35(4,30)31/h5-10,13-15,26H,11-12H2,1-4H3,(H2,25,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291944
PNG
(US10100019, Example 14)
Show SMILES CCN(CC)CCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C26H34ClN5O3S/c1-6-32(7-2)15-14-19-12-13-23(35-5)22(16-19)30-26-28-17-20(27)25(31-26)29-21-10-8-9-11-24(21)36(33,34)18(3)4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291961
PNG
(US10100019, Example 31)
Show SMILES CC(C)Oc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)33-21-10-9-17(11-12-26)13-20(21)29-24-27-14-18(25)23(30-24)28-19-7-5-6-8-22(19)34(31,32)16(3)4/h5-10,13-16H,11-12,26H2,1-4H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291933
PNG
(US10100019, Example 3)
Show SMILES COc1ccc(CC2(N)CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)21-7-5-4-6-18(21)28-22-17(25)14-27-23(30-22)29-19-12-16(8-9-20(19)33-3)13-24(26)10-11-24/h4-9,12,14-15H,10-11,13,26H2,1-3H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291977
PNG
(US10100019, Example 47)
Show SMILES COc1ccc(CC(=O)NCCO)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O5S/c1-15(2)36(33,34)21-7-5-4-6-18(21)28-23-17(25)14-27-24(30-23)29-19-12-16(8-9-20(19)35-3)13-22(32)26-10-11-31/h4-9,12,14-15,31H,10-11,13H2,1-3H3,(H,26,32)(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291959
PNG
(US10100019, Example 29)
Show SMILES COc1ccc(CN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C21H24ClN5O3S/c1-13(2)31(28,29)19-7-5-4-6-16(19)25-20-15(22)12-24-21(27-20)26-17-10-14(11-23)8-9-18(17)30-3/h4-10,12-13H,11,23H2,1-3H3,(H2,24,25,26,27)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291992
PNG
(US10100019, Example 62)
Show SMILES COc1cc(CCNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O4S/c1-15(2)35(32,33)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16(3)17(9-10-26-14-31)12-21(20)34-4/h5-8,11-15H,9-10H2,1-4H3,(H,26,31)(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291989
PNG
(US10100019, Example 59)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CNC=O
Show InChI InChI=1S/C26H32ClN5O4S/c1-16(2)37(34,35)23-10-8-7-9-20(23)30-24-19(27)13-29-25(32-24)31-21-11-17(3)18(12-22(21)36-6)26(4,5)14-28-15-33/h7-13,15-16H,14H2,1-6H3,(H,28,33)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291950
PNG
(US10100019, Example 20)
Show SMILES COc1ccc(CCNC(=S)NCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H33ClN6O3S2/c1-20(2)42(38,39)27-12-8-7-11-24(27)35-28-23(31)19-33-29(37-28)36-25-17-21(13-14-26(25)40-3)15-16-32-30(41)34-18-22-9-5-4-6-10-22/h4-14,17,19-20H,15-16,18H2,1-3H3,(H2,32,34,41)(H2,33,35,36,37)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291939
PNG
(US10100019, Example 9)
Show SMILES COc1ccc(CCN(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-16(2)34(31,32)22-9-7-6-8-19(22)27-23-18(25)15-26-24(29-23)28-20-14-17(12-13-30(3)4)10-11-21(20)33-5/h6-11,14-16H,12-13H2,1-5H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291959
PNG
(US10100019, Example 29)
Show SMILES COc1ccc(CN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C21H24ClN5O3S/c1-13(2)31(28,29)19-7-5-4-6-16(19)25-20-15(22)12-24-21(27-20)26-17-10-14(11-23)8-9-18(17)30-3/h4-10,12-13H,11,23H2,1-3H3,(H2,24,25,26,27)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291942
PNG
(US10100019, Example 12)
Show SMILES COc1ccc(CCNC(=O)Cc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H32ClN5O4S/c1-20(2)41(38,39)27-12-8-7-11-24(27)34-29-23(31)19-33-30(36-29)35-25-17-22(13-14-26(25)40-3)15-16-32-28(37)18-21-9-5-4-6-10-21/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,32,37)(H2,33,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291956
PNG
(US10100019, Example 26)
Show SMILES COC(=O)CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H30ClN5O5S/c1-16(2)37(33,34)22-8-6-5-7-19(22)29-24-18(26)14-28-25(31-24)30-20-13-17(9-10-21(20)35-3)11-12-27-15-23(32)36-4/h5-10,13-14,16,27H,11-12,15H2,1-4H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291957
PNG
(US10100019, Example 27)
Show SMILES COc1ccc(CCNCC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O5S/c1-15(2)36(33,34)21-7-5-4-6-18(21)28-23-17(25)13-27-24(30-23)29-19-12-16(8-9-20(19)35-3)10-11-26-14-22(31)32/h4-9,12-13,15,26H,10-11,14H2,1-3H3,(H,31,32)(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291941
PNG
(US10100019, Example 11)
Show SMILES COc1ccc(CCNCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H32ClN5O3S/c1-20(2)39(36,37)27-12-8-7-11-24(27)33-28-23(30)19-32-29(35-28)34-25-17-21(13-14-26(25)38-3)15-16-31-18-22-9-5-4-6-10-22/h4-14,17,19-20,31H,15-16,18H2,1-3H3,(H2,32,33,34,35)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291945
PNG
(US10100019, Example 15)
Show SMILES COc1ccc(CCNC(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H32ClN5O3S/c1-16(2)27-13-12-18-10-11-22(34-5)21(14-18)30-25-28-15-19(26)24(31-25)29-20-8-6-7-9-23(20)35(32,33)17(3)4/h6-11,14-17,27H,12-13H2,1-5H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291945
PNG
(US10100019, Example 15)
Show SMILES COc1ccc(CCNC(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H32ClN5O3S/c1-16(2)27-13-12-18-10-11-22(34-5)21(14-18)30-25-28-15-19(26)24(31-25)29-20-8-6-7-9-23(20)35(32,33)17(3)4/h6-11,14-17,27H,12-13H2,1-5H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291983
PNG
(US10100019, Example 53)
Show SMILES COc1cc(CC#N)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H24ClN5O3S/c1-14(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)13-26-23(29-22)28-19-11-15(3)16(9-10-25)12-20(19)32-4/h5-8,11-14H,9H2,1-4H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291933
PNG
(US10100019, Example 3)
Show SMILES COc1ccc(CC2(N)CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)21-7-5-4-6-18(21)28-22-17(25)14-27-23(30-22)29-19-12-16(8-9-20(19)33-3)13-24(26)10-11-24/h4-9,12,14-15H,10-11,13,26H2,1-3H3,(H2,27,28,29,30)
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n/an/a 21n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291975
PNG
(US10100019, Example 45)
Show SMILES COc1ccc(CC(=O)N2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H30ClN5O5S/c1-17(2)38(34,35)23-7-5-4-6-20(23)29-25-19(27)16-28-26(31-25)30-21-14-18(8-9-22(21)36-3)15-24(33)32-10-12-37-13-11-32/h4-9,14,16-17H,10-13,15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 26n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291949
PNG
(US10100019, Example 19)
Show SMILES CNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C24H29ClN6O3S2/c1-15(2)36(32,33)21-8-6-5-7-18(21)29-22-17(25)14-28-23(31-22)30-19-13-16(9-10-20(19)34-4)11-12-27-24(35)26-3/h5-10,13-15H,11-12H2,1-4H3,(H2,26,27,35)(H2,28,29,30,31)
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n/an/a 30n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291952
PNG
(US10100019, Example 22)
Show SMILES COc1ccc(CCN2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-18(2)37(33,34)24-7-5-4-6-21(24)29-25-20(27)17-28-26(31-25)30-22-16-19(8-9-23(22)35-3)10-11-32-12-14-36-15-13-32/h4-9,16-18H,10-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291940
PNG
(US10100019, Example 10)
Show SMILES CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C23H28ClN5O3S/c1-15(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)14-26-23(29-22)28-19-13-16(11-12-25-3)9-10-20(19)32-4/h5-10,13-15,25H,11-12H2,1-4H3,(H2,26,27,28,29)
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291952
PNG
(US10100019, Example 22)
Show SMILES COc1ccc(CCN2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-18(2)37(33,34)24-7-5-4-6-21(24)29-25-20(27)17-28-26(31-25)30-22-16-19(8-9-23(22)35-3)10-11-32-12-14-36-15-13-32/h4-9,16-18H,10-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291965
PNG
(US10100019, Example 35)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)34(31,32)21-9-7-6-8-18(21)28-22-17(25)13-27-23(30-22)29-19-12-16(24(3,4)14-26)10-11-20(19)33-5/h6-13,15H,14,26H2,1-5H3,(H2,27,28,29,30)
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n/an/a 30n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291962
PNG
(US10100019, Example 32)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H25ClFN5O3S/c1-13(2)33(30,31)20-11-15(24)5-6-17(20)27-21-16(23)12-26-22(29-21)28-18-10-14(8-9-25)4-7-19(18)32-3/h4-7,10-13H,8-9,25H2,1-3H3,(H2,26,27,28,29)
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n/an/a 30n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291979
PNG
(US10100019, Example 49)
Show SMILES COc1ccc(CC(=O)Nc2ccncc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H27ClN6O4S/c1-17(2)39(36,37)24-7-5-4-6-21(24)32-26-20(28)16-30-27(34-26)33-22-14-18(8-9-23(22)38-3)15-25(35)31-19-10-12-29-13-11-19/h4-14,16-17H,15H2,1-3H3,(H,29,31,35)(H2,30,32,33,34)
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n/an/a 34n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291983
PNG
(US10100019, Example 53)
Show SMILES COc1cc(CC#N)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H24ClN5O3S/c1-14(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)13-26-23(29-22)28-19-11-15(3)16(9-10-25)12-20(19)32-4/h5-8,11-14H,9H2,1-4H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291947
PNG
(US10100019, Example 17)
Show SMILES COc1ccc(CCNC(=O)NC2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H37ClN6O4S/c1-19(2)41(38,39)26-12-8-7-11-23(26)34-27-22(30)18-32-28(36-27)35-24-17-20(13-14-25(24)40-3)15-16-31-29(37)33-21-9-5-4-6-10-21/h7-8,11-14,17-19,21H,4-6,9-10,15-16H2,1-3H3,(H2,31,33,37)(H2,32,34,35,36)
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n/an/a 40n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291941
PNG
(US10100019, Example 11)
Show SMILES COc1ccc(CCNCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H32ClN5O3S/c1-20(2)39(36,37)27-12-8-7-11-24(27)33-28-23(30)19-32-29(35-28)34-25-17-21(13-14-26(25)38-3)15-16-31-18-22-9-5-4-6-10-22/h4-14,17,19-20,31H,15-16,18H2,1-3H3,(H2,32,33,34,35)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291955
PNG
(US10100019, Example 25)
Show SMILES COc1ccc(CCNc2ncccn2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H28ClN7O3S/c1-17(2)38(35,36)23-8-5-4-7-20(23)32-24-19(27)16-31-26(34-24)33-21-15-18(9-10-22(21)37-3)11-14-30-25-28-12-6-13-29-25/h4-10,12-13,15-17H,11,14H2,1-3H3,(H,28,29,30)(H2,31,32,33,34)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291969
PNG
(US10100019, Example 39)
Show SMILES COc1ccc(CCN(CCO)CCO)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H34ClN5O5S/c1-18(2)38(35,36)24-7-5-4-6-21(24)29-25-20(27)17-28-26(31-25)30-22-16-19(8-9-23(22)37-3)10-11-32(12-14-33)13-15-34/h4-9,16-18,33-34H,10-15H2,1-3H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291933
PNG
(US10100019, Example 3)
Show SMILES COc1ccc(CC2(N)CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)21-7-5-4-6-18(21)28-22-17(25)14-27-23(30-22)29-19-12-16(8-9-20(19)33-3)13-24(26)10-11-24/h4-9,12,14-15H,10-11,13,26H2,1-3H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291974
PNG
(US10100019, Example 44)
Show SMILES COc1ccc(CC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H23ClN4O5S/c1-13(2)33(30,31)19-7-5-4-6-16(19)25-21-15(23)12-24-22(27-21)26-17-10-14(11-20(28)29)8-9-18(17)32-3/h4-10,12-13H,11H2,1-3H3,(H,28,29)(H2,24,25,26,27)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291937
PNG
(US10100019, Example 7)
Show SMILES COc1ccc(NC(C)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O4S/c1-13(2)33(30,31)20-8-6-5-7-17(20)26-21-16(23)12-24-22(28-21)27-18-11-15(25-14(3)29)9-10-19(18)32-4/h5-13H,1-4H3,(H,25,29)(H2,24,26,27,28)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291940
PNG
(US10100019, Example 10)
Show SMILES CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C23H28ClN5O3S/c1-15(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)14-26-23(29-22)28-19-13-16(11-12-25-3)9-10-20(19)32-4/h5-10,13-15,25H,11-12H2,1-4H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291937
PNG
(US10100019, Example 7)
Show SMILES COc1ccc(NC(C)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O4S/c1-13(2)33(30,31)20-8-6-5-7-17(20)26-21-16(23)12-24-22(28-21)27-18-11-15(25-14(3)29)9-10-19(18)32-4/h5-13H,1-4H3,(H,25,29)(H2,24,26,27,28)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291946
PNG
(US10100019, Example 16)
Show SMILES CCNC(=O)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H31ClN6O4S/c1-5-27-25(33)28-13-12-17-10-11-21(36-4)20(14-17)31-24-29-15-18(26)23(32-24)30-19-8-6-7-9-22(19)37(34,35)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H2,27,28,33)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291960
PNG
(US10100019, Example 30)
Show SMILES COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H25ClF3N5O4S/c1-14(2)38(35,36)20-7-5-4-6-17(20)31-21-16(25)13-30-23(33-21)32-18-12-15(8-9-19(18)37-3)10-11-29-22(34)24(26,27)28/h4-9,12-14H,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291974
PNG
(US10100019, Example 44)
Show SMILES COc1ccc(CC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H23ClN4O5S/c1-13(2)33(30,31)19-7-5-4-6-16(19)25-21-15(23)12-24-22(27-21)26-17-10-14(11-20(28)29)8-9-18(17)32-3/h4-10,12-13H,11H2,1-3H3,(H,28,29)(H2,24,25,26,27)
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UniChem
US Patent
n/an/a 57n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291946
PNG
(US10100019, Example 16)
Show SMILES CCNC(=O)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H31ClN6O4S/c1-5-27-25(33)28-13-12-17-10-11-21(36-4)20(14-17)31-24-29-15-18(26)23(32-24)30-19-8-6-7-9-22(19)37(34,35)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H2,27,28,33)(H2,29,30,31,32)
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n/an/a 60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291950
PNG
(US10100019, Example 20)
Show SMILES COc1ccc(CCNC(=S)NCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H33ClN6O3S2/c1-20(2)42(38,39)27-12-8-7-11-24(27)35-28-23(31)19-33-29(37-28)36-25-17-21(13-14-26(25)40-3)15-16-32-30(41)34-18-22-9-5-4-6-10-22/h4-14,17,19-20H,15-16,18H2,1-3H3,(H2,32,34,41)(H2,33,35,36,37)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291961
PNG
(US10100019, Example 31)
Show SMILES CC(C)Oc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)33-21-10-9-17(11-12-26)13-20(21)29-24-27-14-18(25)23(30-24)28-19-7-5-6-8-22(19)34(31,32)16(3)4/h5-10,13-16H,11-12,26H2,1-4H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291962
PNG
(US10100019, Example 32)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H25ClFN5O3S/c1-13(2)33(30,31)20-11-15(24)5-6-17(20)27-21-16(23)12-26-22(29-21)28-18-10-14(8-9-25)4-7-19(18)32-3/h4-7,10-13H,8-9,25H2,1-3H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291955
PNG
(US10100019, Example 25)
Show SMILES COc1ccc(CCNc2ncccn2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H28ClN7O3S/c1-17(2)38(35,36)23-8-5-4-7-20(23)32-24-19(27)16-31-26(34-24)33-21-15-18(9-10-22(21)37-3)11-14-30-25-28-12-6-13-29-25/h4-10,12-13,15-17H,11,14H2,1-3H3,(H,28,29,30)(H2,31,32,33,34)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291961
PNG
(US10100019, Example 31)
Show SMILES CC(C)Oc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15(2)33-21-10-9-17(11-12-26)13-20(21)29-24-27-14-18(25)23(30-24)28-19-7-5-6-8-22(19)34(31,32)16(3)4/h5-10,13-16H,11-12,26H2,1-4H3,(H2,27,28,29,30)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291958
PNG
(US10100019, Example 28)
Show SMILES COc1ccc(CNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H23ClF3N5O4S/c1-13(2)37(34,35)19-7-5-4-6-16(19)30-20-15(24)12-29-22(32-20)31-17-10-14(8-9-18(17)36-3)11-28-21(33)23(25,26)27/h4-10,12-13H,11H2,1-3H3,(H,28,33)(H2,29,30,31,32)
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n/an/a 97n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291935
PNG
(US10100019, Example 5)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCCCC2)CCCC1
Show InChI InChI=1S/C31H40ClN5O3S/c1-22(2)41(38,39)28-12-6-5-11-25(28)34-29-24(32)20-33-30(36-29)35-26-19-23(13-14-27(26)40-3)31(15-7-8-16-31)21-37-17-9-4-10-18-37/h5-6,11-14,19-20,22H,4,7-10,15-18,21H2,1-3H3,(H2,33,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291938
PNG
(US10100019, Example 8)
Show SMILES COc1ccc(CCNS(C)(=O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O5S2/c1-15(2)36(32,33)21-8-6-5-7-18(21)27-22-17(24)14-25-23(29-22)28-19-13-16(9-10-20(19)34-3)11-12-26-35(4,30)31/h5-10,13-15,26H,11-12H2,1-4H3,(H2,25,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291938
PNG
(US10100019, Example 8)
Show SMILES COc1ccc(CCNS(C)(=O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H28ClN5O5S2/c1-15(2)36(32,33)21-8-6-5-7-18(21)27-22-17(24)14-25-23(29-22)28-19-13-16(9-10-20(19)34-3)11-12-26-35(4,30)31/h5-10,13-15,26H,11-12H2,1-4H3,(H2,25,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291949
PNG
(US10100019, Example 19)
Show SMILES CNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C24H29ClN6O3S2/c1-15(2)36(32,33)21-8-6-5-7-18(21)29-22-17(25)14-28-23(31-22)30-19-13-16(9-10-20(19)34-4)11-12-27-24(35)26-3/h5-10,13-15H,11-12H2,1-4H3,(H2,26,27,35)(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291962
PNG
(US10100019, Example 32)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H25ClFN5O3S/c1-13(2)33(30,31)20-11-15(24)5-6-17(20)27-21-16(23)12-26-22(29-21)28-18-10-14(8-9-25)4-7-19(18)32-3/h4-7,10-13H,8-9,25H2,1-3H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291953
PNG
(US10100019, Example 23)
Show SMILES CCNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H31ClN6O3S2/c1-5-27-25(36)28-13-12-17-10-11-21(35-4)20(14-17)31-24-29-15-18(26)23(32-24)30-19-8-6-7-9-22(19)37(33,34)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H2,27,28,36)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291983
PNG
(US10100019, Example 53)
Show SMILES COc1cc(CC#N)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H24ClN5O3S/c1-14(2)33(30,31)21-8-6-5-7-18(21)27-22-17(24)13-26-23(29-22)28-19-11-15(3)16(9-10-25)12-20(19)32-4/h5-8,11-14H,9H2,1-4H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291960
PNG
(US10100019, Example 30)
Show SMILES COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H25ClF3N5O4S/c1-14(2)38(35,36)20-7-5-4-6-17(20)31-21-16(25)13-30-23(33-21)32-18-12-15(8-9-19(18)37-3)10-11-29-22(34)24(26,27)28/h4-9,12-14H,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291935
PNG
(US10100019, Example 5)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCCCC2)CCCC1
Show InChI InChI=1S/C31H40ClN5O3S/c1-22(2)41(38,39)28-12-6-5-11-25(28)34-29-24(32)20-33-30(36-29)35-26-19-23(13-14-27(26)40-3)31(15-7-8-16-31)21-37-17-9-4-10-18-37/h5-6,11-14,19-20,22H,4,7-10,15-18,21H2,1-3H3,(H2,33,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291936
PNG
(US10100019, Example 6)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCOCC2)CCCC1
Show InChI InChI=1S/C30H38ClN5O4S/c1-21(2)41(37,38)27-9-5-4-8-24(27)33-28-23(31)19-32-29(35-28)34-25-18-22(10-11-26(25)39-3)30(12-6-7-13-30)20-36-14-16-40-17-15-36/h4-5,8-11,18-19,21H,6-7,12-17,20H2,1-3H3,(H2,32,33,34,35)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291964
PNG
(US10100019, Example 34)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2c(F)cccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H25ClFN5O3S/c1-13(2)33(30,31)19-6-4-5-16(24)20(19)28-21-15(23)12-26-22(29-21)27-17-11-14(9-10-25)7-8-18(17)32-3/h4-8,11-13H,9-10,25H2,1-3H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291942
PNG
(US10100019, Example 12)
Show SMILES COc1ccc(CCNC(=O)Cc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H32ClN5O4S/c1-20(2)41(38,39)27-12-8-7-11-24(27)34-29-23(31)19-33-30(36-29)35-25-17-22(13-14-26(25)40-3)15-16-32-28(37)18-21-9-5-4-6-10-21/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,32,37)(H2,33,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291953
PNG
(US10100019, Example 23)
Show SMILES CCNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C25H31ClN6O3S2/c1-5-27-25(36)28-13-12-17-10-11-21(35-4)20(14-17)31-24-29-15-18(26)23(32-24)30-19-8-6-7-9-22(19)37(33,34)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H2,27,28,36)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291976
PNG
(US10100019, Example 46)
Show SMILES COc1ccc(CC(=O)N2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN5O4S/c1-18(2)38(35,36)24-10-6-5-9-21(24)30-26-20(28)17-29-27(32-26)31-22-15-19(11-12-23(22)37-3)16-25(34)33-13-7-4-8-14-33/h5-6,9-12,15,17-18H,4,7-8,13-14,16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 190n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291973
PNG
(US10100019, Example 43)
Show SMILES CCOCCOC(=O)Cc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C26H31ClN4O6S/c1-5-36-12-13-37-24(32)15-18-10-11-22(35-4)21(14-18)30-26-28-16-19(27)25(31-26)29-20-8-6-7-9-23(20)38(33,34)17(2)3/h6-11,14,16-17H,5,12-13,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 190n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291970
PNG
(US10100019, Example 40)
Show SMILES COc1ccc(CCCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H27ClF3N5O4S/c1-15(2)39(36,37)21-9-5-4-8-18(21)32-22-17(26)14-31-24(34-22)33-19-13-16(10-11-20(19)38-3)7-6-12-30-23(35)25(27,28)29/h4-5,8-11,13-15H,6-7,12H2,1-3H3,(H,30,35)(H2,31,32,33,34)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291984
PNG
(US10100019, Example 54)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)C#N
Show InChI InChI=1S/C25H28ClN5O3S/c1-15(2)35(32,33)22-10-8-7-9-19(22)29-23-18(26)13-28-24(31-23)30-20-11-16(3)17(12-21(20)34-6)25(4,5)14-27/h7-13,15H,1-6H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291966
PNG
(US10100019, Example 36)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
Show InChI InChI=1S/C24H29ClFN5O3S/c1-14(2)35(32,33)21-11-16(26)7-8-18(21)29-22-17(25)12-28-23(31-22)30-19-10-15(24(3,4)13-27)6-9-20(19)34-5/h6-12,14H,13,27H2,1-5H3,(H2,28,29,30,31)
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n/an/a 210n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291955
PNG
(US10100019, Example 25)
Show SMILES COc1ccc(CCNc2ncccn2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H28ClN7O3S/c1-17(2)38(35,36)23-8-5-4-7-20(23)32-24-19(27)16-31-26(34-24)33-21-15-18(9-10-22(21)37-3)11-14-30-25-28-12-6-13-29-25/h4-10,12-13,15-17H,11,14H2,1-3H3,(H,28,29,30)(H2,31,32,33,34)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291949
PNG
(US10100019, Example 19)
Show SMILES CNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C24H29ClN6O3S2/c1-15(2)36(32,33)21-8-6-5-7-18(21)29-22-17(25)14-28-23(31-22)30-19-13-16(9-10-20(19)34-4)11-12-27-24(35)26-3/h5-10,13-15H,11-12H2,1-4H3,(H2,26,27,35)(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291980
PNG
(US10100019, Example 50)
Show SMILES COc1ccc(CC(=O)Nc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H28ClN5O4S/c1-18(2)39(36,37)25-12-8-7-11-22(25)32-27-21(29)17-30-28(34-27)33-23-15-19(13-14-24(23)38-3)16-26(35)31-20-9-5-4-6-10-20/h4-15,17-18H,16H2,1-3H3,(H,31,35)(H2,30,32,33,34)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291948
PNG
(US10100019, Example 18)
Show SMILES COc1ccc(CCNC(=O)Nc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H31ClN6O4S/c1-19(2)41(38,39)26-12-8-7-11-23(26)34-27-22(30)18-32-28(36-27)35-24-17-20(13-14-25(24)40-3)15-16-31-29(37)33-21-9-5-4-6-10-21/h4-14,17-19H,15-16H2,1-3H3,(H2,31,33,37)(H2,32,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291942
PNG
(US10100019, Example 12)
Show SMILES COc1ccc(CCNC(=O)Cc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H32ClN5O4S/c1-20(2)41(38,39)27-12-8-7-11-24(27)34-29-23(31)19-33-30(36-29)35-25-17-22(13-14-26(25)40-3)15-16-32-28(37)18-21-9-5-4-6-10-21/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,32,37)(H2,33,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291958
PNG
(US10100019, Example 28)
Show SMILES COc1ccc(CNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H23ClF3N5O4S/c1-13(2)37(34,35)19-7-5-4-6-16(19)30-20-15(24)12-29-22(32-20)31-17-10-14(8-9-18(17)36-3)11-28-21(33)23(25,26)27/h4-10,12-13H,11H2,1-3H3,(H,28,33)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291963
PNG
(US10100019, Example 33)
Show SMILES COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H25ClFN5O3S/c1-13(2)33(30,31)20-7-5-15(24)11-18(20)27-21-16(23)12-26-22(29-21)28-17-10-14(8-9-25)4-6-19(17)32-3/h4-7,10-13H,8-9,25H2,1-3H3,(H2,26,27,28,29)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291932
PNG
(US10100019, Example 2)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCCC1
Show InChI InChI=1S/C27H34ClN5O3S/c1-18(2)37(34,35)24-10-6-5-9-21(24)31-25-20(28)16-30-26(33-25)32-22-15-19(11-12-23(22)36-3)27(17-29)13-7-4-8-14-27/h5-6,9-12,15-16,18H,4,7-8,13-14,17,29H2,1-3H3,(H2,30,31,32,33)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291984
PNG
(US10100019, Example 54)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)C#N
Show InChI InChI=1S/C25H28ClN5O3S/c1-15(2)35(32,33)22-10-8-7-9-19(22)29-23-18(26)13-28-24(31-23)30-20-11-16(3)17(12-21(20)34-6)25(4,5)14-27/h7-13,15H,1-6H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291984
PNG
(US10100019, Example 54)
Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)C#N
Show InChI InChI=1S/C25H28ClN5O3S/c1-15(2)35(32,33)22-10-8-7-9-19(22)29-23-18(26)13-28-24(31-23)30-20-11-16(3)17(12-21(20)34-6)25(4,5)14-27/h7-13,15H,1-6H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291947
PNG
(US10100019, Example 17)
Show SMILES COc1ccc(CCNC(=O)NC2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H37ClN6O4S/c1-19(2)41(38,39)26-12-8-7-11-23(26)34-27-22(30)18-32-28(36-27)35-24-17-20(13-14-25(24)40-3)15-16-31-29(37)33-21-9-5-4-6-10-21/h7-8,11-14,17-19,21H,4-6,9-10,15-16H2,1-3H3,(H2,31,33,37)(H2,32,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291958
PNG
(US10100019, Example 28)
Show SMILES COc1ccc(CNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H23ClF3N5O4S/c1-13(2)37(34,35)19-7-5-4-6-16(19)30-20-15(24)12-29-22(32-20)31-17-10-14(8-9-18(17)36-3)11-28-21(33)23(25,26)27/h4-10,12-13H,11H2,1-3H3,(H,28,33)(H2,29,30,31,32)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291967
PNG
(US10100019, Example 37)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
Show InChI InChI=1S/C24H29ClFN5O3S/c1-14(2)35(32,33)21-9-7-16(26)11-19(21)29-22-17(25)12-28-23(31-22)30-18-10-15(24(3,4)13-27)6-8-20(18)34-5/h6-12,14H,13,27H2,1-5H3,(H2,28,29,30,31)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291947
PNG
(US10100019, Example 17)
Show SMILES COc1ccc(CCNC(=O)NC2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H37ClN6O4S/c1-19(2)41(38,39)26-12-8-7-11-23(26)34-27-22(30)18-32-28(36-27)35-24-17-20(13-14-25(24)40-3)15-16-31-29(37)33-21-9-5-4-6-10-21/h7-8,11-14,17-19,21H,4-6,9-10,15-16H2,1-3H3,(H2,31,33,37)(H2,32,34,35,36)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291960
PNG
(US10100019, Example 30)
Show SMILES COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H25ClF3N5O4S/c1-14(2)38(35,36)20-7-5-4-6-17(20)31-21-16(25)13-30-23(33-21)32-18-12-15(8-9-19(18)37-3)10-11-29-22(34)24(26,27)28/h4-9,12-14H,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33)
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Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291936
PNG
(US10100019, Example 6)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCOCC2)CCCC1
Show InChI InChI=1S/C30H38ClN5O4S/c1-21(2)41(37,38)27-9-5-4-8-24(27)33-28-23(31)19-32-29(35-28)34-25-18-22(10-11-26(25)39-3)30(12-6-7-13-30)20-36-14-16-40-17-15-36/h4-5,8-11,18-19,21H,6-7,12-17,20H2,1-3H3,(H2,32,33,34,35)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291932
PNG
(US10100019, Example 2)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCCC1
Show InChI InChI=1S/C27H34ClN5O3S/c1-18(2)37(34,35)24-10-6-5-9-21(24)31-25-20(28)16-30-26(33-25)32-22-15-19(11-12-23(22)36-3)27(17-29)13-7-4-8-14-27/h5-6,9-12,15-16,18H,4,7-8,13-14,17,29H2,1-3H3,(H2,30,31,32,33)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291948
PNG
(US10100019, Example 18)
Show SMILES COc1ccc(CCNC(=O)Nc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H31ClN6O4S/c1-19(2)41(38,39)26-12-8-7-11-23(26)34-27-22(30)18-32-28(36-27)35-24-17-20(13-14-25(24)40-3)15-16-31-29(37)33-21-9-5-4-6-10-21/h4-14,17-19H,15-16H2,1-3H3,(H2,31,33,37)(H2,32,34,35,36)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291932
PNG
(US10100019, Example 2)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCCC1
Show InChI InChI=1S/C27H34ClN5O3S/c1-18(2)37(34,35)24-10-6-5-9-21(24)31-25-20(28)16-30-26(33-25)32-22-15-19(11-12-23(22)36-3)27(17-29)13-7-4-8-14-27/h5-6,9-12,15-16,18H,4,7-8,13-14,17,29H2,1-3H3,(H2,30,31,32,33)
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n/an/a 1.82E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291968
PNG
(US10100019, Example 38)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2c(F)cccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
Show InChI InChI=1S/C24H29ClFN5O3S/c1-14(2)35(32,33)20-8-6-7-17(26)21(20)30-22-16(25)12-28-23(31-22)29-18-11-15(24(3,4)13-27)9-10-19(18)34-5/h6-12,14H,13,27H2,1-5H3,(H2,28,29,30,31)
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n/an/a 2.10E+3n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291948
PNG
(US10100019, Example 18)
Show SMILES COc1ccc(CCNC(=O)Nc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H31ClN6O4S/c1-19(2)41(38,39)26-12-8-7-11-23(26)34-27-22(30)18-32-28(36-27)35-24-17-20(13-14-25(24)40-3)15-16-31-29(37)33-21-9-5-4-6-10-21/h4-14,17-19H,15-16H2,1-3H3,(H2,31,33,37)(H2,32,34,35,36)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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


(Homo sapiens (Human))
BDBM291931
PNG
(US10100019, Example 1)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCC1
Show InChI InChI=1S/C26H32ClN5O3S/c1-17(2)36(33,34)23-9-5-4-8-20(23)30-24-19(27)15-29-25(32-24)31-21-14-18(10-11-22(21)35-3)26(16-28)12-6-7-13-26/h4-5,8-11,14-15,17H,6-7,12-13,16,28H2,1-3H3,(H2,29,30,31,32)
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n/an/a 2.80E+3n/an/an/an/an/a25



Korea Research Institute of Chemical Technology

US Patent


Assay Description
The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291931
PNG
(US10100019, Example 1)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCC1
Show InChI InChI=1S/C26H32ClN5O3S/c1-17(2)36(33,34)23-9-5-4-8-20(23)30-24-19(27)15-29-25(32-24)31-21-14-18(10-11-22(21)35-3)26(16-28)12-6-7-13-26/h4-5,8-11,14-15,17H,6-7,12-13,16,28H2,1-3H3,(H2,29,30,31,32)
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n/an/a 3.88E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291935
PNG
(US10100019, Example 5)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCCCC2)CCCC1
Show InChI InChI=1S/C31H40ClN5O3S/c1-22(2)41(38,39)28-12-6-5-11-25(28)34-29-24(32)20-33-30(36-29)35-26-19-23(13-14-27(26)40-3)31(15-7-8-16-31)21-37-17-9-4-10-18-37/h5-6,11-14,19-20,22H,4,7-10,15-18,21H2,1-3H3,(H2,33,34,35,36)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM291936
PNG
(US10100019, Example 6)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCOCC2)CCCC1
Show InChI InChI=1S/C30H38ClN5O4S/c1-21(2)41(37,38)27-9-5-4-8-24(27)33-28-23(31)19-32-29(35-28)34-25-18-22(10-11-26(25)39-3)30(12-6-7-13-30)20-36-14-16-40-17-15-36/h4-5,8-11,18-19,21H,6-7,12-17,20H2,1-3H3,(H2,32,33,34,35)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM291931
PNG
(US10100019, Example 1)
Show SMILES COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCC1
Show InChI InChI=1S/C26H32ClN5O3S/c1-17(2)36(33,34)23-9-5-4-8-20(23)30-24-19(27)15-29-25(32-24)31-21-14-18(10-11-22(21)35-3)26(16-28)12-6-7-13-26/h4-5,8-11,14-15,17H,6-7,12-13,16,28H2,1-3H3,(H2,29,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

US Patent


Assay Description
To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymp...


US Patent US10100019 (2018)

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