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Found 213 hits of Enz. Inhib. data with enzyme = 'ALK tyrosine kinase receptor (L1196M)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM261689
PNG
(US9708295, 30)
Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1
Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1
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18.8n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

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


(Homo sapiens (Human))
BDBM261711
PNG
(US9708295, 53)
Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C
Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1
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32.1n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

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


(Homo sapiens (Human))
BDBM261686
PNG
(US9708295, 27)
Show SMILES COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C
Show InChI InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1
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35.1n/an/an/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9708295 (2017)

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


(Homo sapiens (Human))
BDBM243393
PNG
(Preparation of 5-chloro-N4-2-(isopropylsulfonyl)ph...)
Show SMILES COc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16-9-10-26-15(3)17(16)12-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116696
PNG
(CHEMBL3608534 | US10053458, 52)
Show SMILES COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-18-7-6-10-32(11-12-33)16-19(18)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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)
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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 (L1196M)


(Homo sapiens (Human))
BDBM50116680
PNG
(CHEMBL3608523 | US10053458, 56)
Show SMILES COc1cc2CCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-17-13-26-10-6-7-16(17)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116699
PNG
(CHEMBL3608642 | US10053458, 53)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-20-7-6-14-36(22-10-12-31-13-11-22)18-21(20)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116693
PNG
(CHEMBL3608531 | US10053458, 51)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-17-7-6-10-32(24(34)15-33)14-18(17)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 1.20n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM243388
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CC(C)COc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-16(2)15-35-23-12-19-13-28-10-9-18(19)11-22(23)31-26-29-14-20(27)25(32-26)30-21-7-5-6-8-24(21)36(33,34)17(3)4/h5-8,11-12,14,16-17,28H,9-10,13,15H2,1-4H3,(H2,29,30,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116685
PNG
(CHEMBL3608644 | US10053458, 54)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-20-7-6-12-35(22-10-13-39-14-11-22)18-21(20)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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n/an/a 1.20n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM243432
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CCNC(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-12-17-15(3)26-10-9-16(17)11-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)
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n/an/a 1.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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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))
BDBM50116683
PNG
(CHEMBL3608526 | US10053458, 49)
Show SMILES CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-13-22(23(35-4)14-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 1.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM243386
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)34-22-12-18-13-27-10-9-17(18)11-21(22)30-25-28-14-19(26)24(31-25)29-20-7-5-6-8-23(20)35(32,33)16(3)4/h5-8,11-12,14-16,27H,9-10,13H2,1-4H3,(H2,28,29,30,31)
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n/an/a 1.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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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 (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)
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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 (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)
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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))
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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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))
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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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))
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
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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n/an/a 2n/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))
BDBM243401
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)35(32,33)22-9-7-6-8-19(22)29-23-18(26)14-27-24(31-23)30-20-12-16-10-11-28-25(3,4)17(16)13-21(20)34-5/h6-9,12-15,28H,10-11H2,1-5H3,(H2,27,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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n/an/a 2.10n/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
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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n/an/a 2.10n/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
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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n/an/a 2.20n/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))
BDBM50116687
PNG
(CHEMBL3608645 | US10053458, 55)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
Show InChI InChI=1S/C27H32ClN5O4S/c1-17(2)38(34,35)25-9-5-4-8-22(25)30-26-21(28)13-29-27(32-26)31-23-11-18-7-6-10-33(20-15-37-16-20)14-19(18)12-24(23)36-3/h4-5,8-9,11-13,17,20H,6-7,10,14-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM243390
PNG
(Preparation of 5-chloro-N2-(7-sec-butoxy-1,2,3,4-t...)
Show SMILES CCC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-17(4)35-23-13-19-14-28-11-10-18(19)12-22(23)31-26-29-15-20(27)25(32-26)30-21-8-6-7-9-24(21)36(33,34)16(2)3/h6-9,12-13,15-17,28H,5,10-11,14H2,1-4H3,(H2,29,30,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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n/an/a 2.5n/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 (L1196M)


(Homo sapiens (Human))
BDBM50116691
PNG
(CHEMBL3608529 | US10053458, 50)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-18-8-7-11-32(17(3)33)15-19(18)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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n/an/a 2.80n/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 (L1196M)


(Homo sapiens (Human))
BDBM243382
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CNCC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN5O3S/c1-17(2)37(34,35)24-9-5-4-8-21(24)31-25-20(28)15-30-26(33-25)32-22-13-19-18(12-23(22)36-3)14-29-16-27(19)10-6-7-11-27/h4-5,8-9,12-13,15,17,29H,6-7,10-11,14,16H2,1-3H3,(H2,30,31,32,33)
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n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM243381
PNG
(Preparation of 1-(6-(5-chloro-4-(2-(isopropylsulfo...)
Show SMILES COc1cc2CN(CC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H31ClF3N5O4S/c1-17(2)43(40,41)24-9-5-4-8-21(24)35-25-20(30)14-34-27(37-25)36-22-13-19-18(12-23(22)42-3)15-38(26(39)29(31,32)33)16-28(19)10-6-7-11-28/h4-5,8-9,12-14,17H,6-7,10-11,15-16H2,1-3H3,(H2,34,35,36,37)
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n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116681
PNG
(CHEMBL3608524 | US10053458, 65)
Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116665
PNG
(CHEMBL3608519 | US10053458, 48)
Show SMILES COc1cc2c(CCCNC2=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-9-5-4-8-18(21)28-22-17(25)13-27-24(30-22)29-19-11-15-7-6-10-26-23(31)16(15)12-20(19)34-3/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116688
PNG
(CHEMBL3608646 | US10053458, 64)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
Show InChI InChI=1S/C27H32ClN5O4S/c1-17(2)38(34,35)25-9-5-4-8-22(25)30-26-21(28)13-29-27(32-26)31-23-11-19-14-33(20-15-37-16-20)10-6-7-18(19)12-24(23)36-3/h4-5,8-9,11-13,17,20H,6-7,10,14-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 3.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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n/an/a 3.40n/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 (L1196M)


(Homo sapiens (Human))
BDBM243395
PNG
(Preparation of 5-chloro-N4-2-(isopropylsulfonyl)ph...)
Show SMILES CCC1NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
Show InChI InChI=1S/C25H30ClN5O3S/c1-5-19-17-13-22(34-4)21(12-16(17)10-11-27-19)30-25-28-14-18(26)24(31-25)29-20-8-6-7-9-23(20)35(32,33)15(2)3/h6-9,12-15,19,27H,5,10-11H2,1-4H3,(H2,28,29,30,31)
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n/an/a 3.40n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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n/an/a 3.60n/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))
BDBM243431
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C28H35ClN6O3S/c1-18(2)39(36,37)26-7-5-4-6-23(26)32-27-22(29)16-31-28(34-27)33-24-14-20-17-35(21-8-11-30-12-9-21)13-10-19(20)15-25(24)38-3/h4-7,14-16,18,21,30H,8-13,17H2,1-3H3,(H2,31,32,33,34)
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n/an/a 4n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM50116684
PNG
(CHEMBL3608643 | US10053458, 62)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-21-18-36(22-10-12-31-13-11-22)14-6-7-20(21)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 4.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (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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n/an/a 4.40n/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 (L1196M)


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
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n/an/a 5n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM244011
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CC(C)Oc1cc2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H34ClN5O3S/c1-16(2)36-23-14-19-18(11-12-30-27(19,5)6)13-22(23)32-26-29-15-20(28)25(33-26)31-21-9-7-8-10-24(21)37(34,35)17(3)4/h7-10,13-17,30H,11-12H2,1-6H3,(H2,29,31,32,33)
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n/an/a<10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM244012
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CCNC(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)35(32,33)22-9-7-6-8-19(22)29-23-18(26)14-27-24(31-23)30-20-13-17-16(12-21(20)34-5)10-11-28-25(17,3)4/h6-9,12-15,28H,10-11H2,1-5H3,(H2,27,29,30,31)
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n/an/a<10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM244013
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CCC1(C)NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
Show InChI InChI=1S/C26H32ClN5O3S/c1-6-26(4)18-14-22(35-5)21(13-17(18)11-12-29-26)31-25-28-15-19(27)24(32-25)30-20-9-7-8-10-23(20)36(33,34)16(2)3/h7-10,13-16,29H,6,11-12H2,1-5H3,(H2,28,30,31,32)
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n/an/a<10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM244014
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CCC1(CC)NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
Show InChI InChI=1S/C27H34ClN5O3S/c1-6-27(7-2)19-15-23(36-5)22(14-18(19)12-13-30-27)32-26-29-16-20(28)25(33-26)31-21-10-8-9-11-24(21)37(34,35)17(3)4/h8-11,14-17,30H,6-7,12-13H2,1-5H3,(H2,29,31,32,33)
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n/an/a<10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

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


(Homo sapiens (Human))
BDBM244015
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2c(CNCC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)35(32,33)22-9-7-6-8-19(22)29-23-18(26)13-28-24(31-23)30-20-10-16-12-27-14-25(3,4)17(16)11-21(20)34-5/h6-11,13,15,27H,12,14H2,1-5H3,(H2,28,29,30,31)
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n/an/a<10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)

More data for this
Ligand-Target Pair
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