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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'EML4 ALK Fusion Protein' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144297
PNG
(US8969336, 388)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C31H45F3N8O2/c1-19(2)26-29(36-20-4-7-23(43)8-5-20)39-30(27(38-26)28(35)44)37-21-6-9-25(24(18-21)31(32,33)34)42-12-10-22(11-13-42)41-16-14-40(3)15-17-41/h6,9,18-20,22-23,43H,4-5,7-8,10-17H2,1-3H3,(H2,35,44)(H2,36,37,39)/t20-,23-
PDB

UniProtKB/TrEMBL

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UniChem

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US Patent
n/an/a 0.170n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144299
PNG
(US8969336, 392)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1
Show InChI InChI=1/C31H48N8O2/c1-5-25-29(33-22-8-12-31(3,41)13-9-22)36-30(27(35-25)28(32)40)34-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24,41H,5,8-19H2,1-4H3,(H2,32,40)(H2,33,34,36)/t22-,31+
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.210n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144298
PNG
(US8969336, 391)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1
Show InChI InChI=1/C26H39N7O2/c1-5-20-24(28-18-8-10-26(3,35)11-9-18)31-25(22(30-20)23(27)34)29-19-6-7-21(17(2)16-19)33-14-12-32(4)13-15-33/h6-7,16,18,35H,5,8-15H2,1-4H3,(H2,27,34)(H2,28,29,31)/t18-,26+
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.220n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144295
PNG
(US8969336, 383)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(OC)c(c2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H37N7O3/c1-4-19-24(27-16-5-8-18(33)9-6-16)30-25(22(29-19)23(26)34)28-17-7-10-21(35-3)20(15-17)32-13-11-31(2)12-14-32/h7,10,15-16,18,33H,4-6,8-9,11-14H2,1-3H3,(H2,26,34)(H2,27,28,30)/t16-,18-
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.230n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144293
PNG
(US8969336, 377)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H37N7O2/c1-4-20-24(27-17-5-8-19(33)9-6-17)30-25(22(29-20)23(26)34)28-18-7-10-21(16(2)15-18)32-13-11-31(3)12-14-32/h7,10,15,17,19,33H,4-6,8-9,11-14H2,1-3H3,(H2,26,34)(H2,27,28,30)/t17-,19-
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.240n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144303
PNG
(US8969336, 459)
Show SMILES CCOc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(CC)nc2C(N)=O)ccc1N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1/C31H48N8O3/c1-4-25-30(33-21-6-9-24(40)10-7-21)36-31(28(35-25)29(32)41)34-22-8-11-26(27(20-22)42-5-2)39-14-12-23(13-15-39)38-18-16-37(3)17-19-38/h8,11,20-21,23-24,40H,4-7,9-10,12-19H2,1-3H3,(H2,32,41)(H2,33,34,36)/t21-,24-
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.260n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144294
PNG
(US8969336, 378)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C30H46N8O2/c1-4-25-29(32-21-5-8-24(39)9-6-21)35-30(27(34-25)28(31)40)33-22-7-10-26(20(2)19-22)38-13-11-23(12-14-38)37-17-15-36(3)16-18-37/h7,10,19,21,23-24,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,33,35)/t21-,24-
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.260n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144296
PNG
(US8969336, 387)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H36N6O2/c1-3-21-24(27-19-8-10-20(32)11-9-19)30-25(22(29-21)23(26)33)28-18-6-4-16(5-7-18)17-12-14-31(2)15-13-17/h4-7,17,19-20,32H,3,8-15H2,1-2H3,(H2,26,33)(H2,27,28,30)/t19-,20-
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.260n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144290
PNG
(US8969336, 355)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H37N7O3/c1-4-19-24(27-16-5-8-18(33)9-6-16)30-25(22(29-19)23(26)34)28-17-7-10-20(21(15-17)35-3)32-13-11-31(2)12-14-32/h7,10,15-16,18,33H,4-6,8-9,11-14H2,1-3H3,(H2,26,34)(H2,27,28,30)/t16-,18-
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.330n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144301
PNG
(US8969336, 406)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(C3)N(C)C)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C26H36F3N7O2/c1-4-20-24(31-15-5-8-18(37)9-6-15)34-25(22(33-20)23(30)38)32-16-7-10-21(19(13-16)26(27,28)29)36-12-11-17(14-36)35(2)3/h7,10,13,15,17-18,37H,4-6,8-9,11-12,14H2,1-3H3,(H2,30,38)(H2,31,32,34)/t15-,17?,18-
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a 0.340n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144285
PNG
(US8969336, 340)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C30H46N8O3/c1-4-24-29(32-20-5-8-23(39)9-6-20)35-30(27(34-24)28(31)40)33-21-7-10-25(26(19-21)41-3)38-13-11-22(12-14-38)37-17-15-36(2)16-18-37/h7,10,19-20,22-23,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,33,35)/t20-,23-
PDB

UniProtKB/TrEMBL

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n/an/a 0.370n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144302
PNG
(US8969336, 426)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(C)C)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C27H41N7O2/c1-5-22-26(29-19-6-9-21(35)10-7-19)32-27(24(31-22)25(28)36)30-20-8-11-23(18(4)16-20)34-14-12-33(13-15-34)17(2)3/h8,11,16-17,19,21,35H,5-7,9-10,12-15H2,1-4H3,(H2,28,36)(H2,29,30,32)/t19-,21-
PDB

UniProtKB/TrEMBL

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UniChem

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US Patent
n/an/a 0.490n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144292
PNG
(US8969336, 370)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C30H43F3N8O2/c1-3-24-28(35-19-4-7-22(42)8-5-19)38-29(26(37-24)27(34)43)36-20-6-9-25(23(18-20)30(31,32)33)41-12-10-21(11-13-41)40-16-14-39(2)15-17-40/h6,9,18-19,21-22,42H,3-5,7-8,10-17H2,1-2H3,(H2,34,43)(H2,35,36,38)/t19-,22-
PDB

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US Patent
n/an/a 0.650n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144289
PNG
(US8969336, 354)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H34F3N7O2/c1-3-19-23(30-15-4-7-17(36)8-5-15)33-24(21(32-19)22(29)37)31-16-6-9-20(18(14-16)25(26,27)28)35-12-10-34(2)11-13-35/h6,9,14-15,17,36H,3-5,7-8,10-13H2,1-2H3,(H2,29,37)(H2,30,31,33)/t15-,17-
PDB

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n/an/a 0.770n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144304
PNG
(US8969336, 466)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@](C)(O)CC1
Show InChI InChI=1/C31H48N8O2/c1-5-25-29(33-22-8-12-31(3,41)13-9-22)36-30(27(35-25)28(32)40)34-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24,41H,5,8-19H2,1-4H3,(H2,32,40)(H2,33,34,36)/t22-,31-
PDB

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n/an/a 0.930n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144300
PNG
(US8969336, 399)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C3CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C27H36F3N7O2/c1-2-21-25(32-16-3-8-19(38)9-4-16)35-26(23(34-21)24(31)39)33-17-5-10-22(20(15-17)27(28,29)30)37-13-11-36(12-14-37)18-6-7-18/h5,10,15-16,18-19,38H,2-4,6-9,11-14H2,1H3,(H2,31,39)(H2,32,33,35)/t16-,19-
PDB

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n/an/a 0.940n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144281
PNG
(US8969336, 110)
Show SMILES CCc1nc(C(N)=O)c(Nc2cccc(c2)S(C)(=O)=O)nc1N[C@H]1CC[C@](C)(O)CC1
Show InChI InChI=1/C21H29N5O4S/c1-4-16-19(23-13-8-10-21(2,28)11-9-13)26-20(17(25-16)18(22)27)24-14-6-5-7-15(12-14)31(3,29)30/h5-7,12-13,28H,4,8-11H2,1-3H3,(H2,22,27)(H2,23,24,26)/t13-,21-
PDB

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US Patent
n/an/a 0.990n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144310
PNG
(US8969336, 534)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCNCC1
Show InChI InChI=1S/C29H45N9O/c1-4-24-28(32-21-7-11-31-12-8-21)35-29(26(34-24)27(30)39)33-22-5-6-25(20(2)19-22)38-13-9-23(10-14-38)37-17-15-36(3)16-18-37/h5-6,19,21,23,31H,4,7-18H2,1-3H3,(H2,30,39)(H2,32,33,35)
PDB

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n/an/a 1n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144318
PNG
(US8969336, 553 | US8969336, 580)
Show SMILES COc1cc(Nc2nc(NC3CCOCC3)c(nc2C(N)=O)C(C)C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H37N7O3/c1-16(2)21-24(27-17-7-13-35-14-8-17)30-25(22(29-21)23(26)33)28-18-5-6-19(20(15-18)34-4)32-11-9-31(3)10-12-32/h5-6,15-17H,7-14H2,1-4H3,(H2,26,33)(H2,27,28,30)
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n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144309
PNG
(US8969336, 512 | US8969336, 574)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O2/c1-4-24-28(31-21-9-17-39-18-10-21)34-29(26(33-24)27(30)38)32-22-5-6-25(20(2)19-22)37-11-7-23(8-12-37)36-15-13-35(3)14-16-36/h5-6,19,21,23H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144315
PNG
(US8969336, 547 | US8969336, 577)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144288
PNG
(US8969336, 347)
Show SMILES CCc1nc(C(N)=O)c(Nc2cccc(c2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C24H35N7O2/c1-3-20-23(26-16-7-9-19(32)10-8-16)29-24(21(28-20)22(25)33)27-17-5-4-6-18(15-17)31-13-11-30(2)12-14-31/h4-6,15-16,19,32H,3,7-14H2,1-2H3,(H2,25,33)(H2,26,27,29)/t16-,19-
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Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144312
PNG
(US8969336, 544)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCN(C)CC1
Show InChI InChI=1S/C30H47N9O/c1-5-25-29(32-22-8-12-36(3)13-9-22)35-30(27(34-25)28(31)40)33-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24H,5,8-19H2,1-4H3,(H2,31,40)(H2,32,33,35)
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n/an/a 1.90n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144287
PNG
(US8969336, 343)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H37N7O2/c1-16(2)21-24(27-18-6-10-20(33)11-7-18)30-25(22(29-21)23(26)34)28-17-4-8-19(9-5-17)32-14-12-31(3)13-15-32/h4-5,8-9,16,18,20,33H,6-7,10-15H2,1-3H3,(H2,26,34)(H2,27,28,30)/t18-,20-
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144316
PNG
(US8969336, 549 | US8969336, 578)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O2/c1-20(2)25-28(32-22-10-18-39-19-11-22)34-29(26(33-25)27(30)38)31-21-4-6-23(7-5-21)36-12-8-24(9-13-36)37-16-14-35(3)15-17-37/h4-7,20,22,24H,8-19H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144320
PNG
(US8969336, 558 | US8969336, 582)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O2/c1-4-24-28(31-21-9-17-39-18-10-21)34-29(26(33-24)27(30)38)32-22-5-6-25(20(2)19-22)37-15-13-36(14-16-37)23-7-11-35(3)12-8-23/h5-6,19,21,23H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 2.20n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144311
PNG
(US8969336, 538)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)cc1C
Show InChI InChI=1/C28H41ClN8O2/c1-18-17-20(5-8-23(18)37-11-9-21(10-12-37)36-15-13-35(2)14-16-36)32-27-24(26(30)39)33-25(29)28(34-27)31-19-3-6-22(38)7-4-19/h5,8,17,19,21-22,38H,3-4,6-7,9-16H2,1-2H3,(H2,30,39)(H2,31,32,34)/t19-,22-
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n/an/a 2.30n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144307
PNG
(US8969336, 493 | US8969336, 494)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCC(O)(CC1)C(C)C
Show InChI InChI=1S/C33H52N8O2/c1-6-27-31(35-24-9-13-33(43,14-10-24)22(2)3)38-32(29(37-27)30(34)42)36-25-7-8-28(23(4)21-25)41-15-11-26(12-16-41)40-19-17-39(5)18-20-40/h7-8,21-22,24,26,43H,6,9-20H2,1-5H3,(H2,34,42)(H2,35,36,38)
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n/an/a 2.60n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144306
PNG
(US8969336, 491)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCC(O)(CC)CC1
Show InChI InChI=1S/C32H50N8O2/c1-5-26-30(34-23-9-13-32(42,6-2)14-10-23)37-31(28(36-26)29(33)41)35-24-7-8-27(22(3)21-24)40-15-11-25(12-16-40)39-19-17-38(4)18-20-39/h7-8,21,23,25,42H,5-6,9-20H2,1-4H3,(H2,33,41)(H2,34,35,37)
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n/an/a 2.80n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144286
PNG
(US8969336, 341)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C29H44N8O2/c1-3-25-28(31-21-6-10-24(38)11-7-21)34-29(26(33-25)27(30)39)32-20-4-8-22(9-5-20)36-14-12-23(13-15-36)37-18-16-35(2)17-19-37/h4-5,8-9,21,23-24,38H,3,6-7,10-19H2,1-2H3,(H2,30,39)(H2,31,32,34)/t21-,24-
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n/an/a 2.80n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144305
PNG
(US8969336, 490)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCC(O)(CC)CC1
Show InChI InChI=1S/C32H50N8O2/c1-5-26-30(34-23-9-13-32(42,6-2)14-10-23)37-31(28(36-26)29(33)41)35-24-7-8-27(22(3)21-24)40-15-11-25(12-16-40)39-19-17-38(4)18-20-39/h7-8,21,23,25,42H,5-6,9-20H2,1-4H3,(H2,33,41)(H2,34,35,37)
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n/an/a 3.10n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144307
PNG
(US8969336, 493 | US8969336, 494)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCC(O)(CC1)C(C)C
Show InChI InChI=1S/C33H52N8O2/c1-6-27-31(35-24-9-13-33(43,14-10-24)22(2)3)38-32(29(37-27)30(34)42)36-25-7-8-28(23(4)21-25)41-15-11-26(12-16-41)40-19-17-39(5)18-20-40/h7-8,21-22,24,26,43H,6,9-20H2,1-5H3,(H2,34,42)(H2,35,36,38)
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n/an/a 4.10n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144319
PNG
(US8969336, 554 | US8969336, 581)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C24H35N7O2/c1-16(2)20-23(27-18-8-14-33-15-9-18)29-24(21(28-20)22(25)32)26-17-4-6-19(7-5-17)31-12-10-30(3)11-13-31/h4-7,16,18H,8-15H2,1-3H3,(H2,25,32)(H2,26,27,29)
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n/an/a 4.5n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144283
PNG
(US8969336, 325)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C24H35N7O2/c1-3-20-23(26-17-6-10-19(32)11-7-17)29-24(21(28-20)22(25)33)27-16-4-8-18(9-5-16)31-14-12-30(2)13-15-31/h4-5,8-9,17,19,32H,3,6-7,10-15H2,1-2H3,(H2,25,33)(H2,26,27,29)/t17-,19-
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n/an/a 5.30n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144314
PNG
(US8969336, 546 | US8969336, 576)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C28H42N8O2/c1-3-24-27(30-21-10-18-38-19-11-21)33-28(25(32-24)26(29)37)31-20-4-6-22(7-5-20)35-12-8-23(9-13-35)36-16-14-34(2)15-17-36/h4-7,21,23H,3,8-19H2,1-2H3,(H2,29,37)(H2,30,31,33)
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n/an/a 7.80n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144282
PNG
(US8969336, 284)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C30H46N8O3/c1-4-24-29(32-20-5-8-23(39)9-6-20)35-30(27(33-24)28(31)40)34-25-10-7-22(19-26(25)41-3)37-13-11-21(12-14-37)38-17-15-36(2)16-18-38/h7,10,19-21,23,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,34,35)/t20-,23-
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n/an/a 8.90n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144317
PNG
(US8969336, 550 | US8969336, 579)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C23H32FN7O2/c1-3-18-22(26-15-6-12-33-13-7-15)29-23(20(28-18)21(25)32)27-16-4-5-19(17(24)14-16)31-10-8-30(2)9-11-31/h4-5,14-15H,3,6-13H2,1-2H3,(H2,25,32)(H2,26,27,29)
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144313
PNG
(US8969336, 545)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C23H33N7O2/c1-3-19-22(25-17-8-14-32-15-9-17)28-23(20(27-19)21(24)31)26-16-4-6-18(7-5-16)30-12-10-29(2)11-13-30/h4-7,17H,3,8-15H2,1-2H3,(H2,24,31)(H2,25,26,28)
PDB

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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144291
PNG
(US8969336, 357)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCOCC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C23H32N6O3/c1-2-19-22(25-16-5-9-18(30)10-6-16)28-23(20(27-19)21(24)31)26-15-3-7-17(8-4-15)29-11-13-32-14-12-29/h3-4,7-8,16,18,30H,2,5-6,9-14H2,1H3,(H2,24,31)(H2,25,26,28)/t16-,18-
PDB

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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144280
PNG
(US8969336, 86)
Show SMILES CCc1nc(C(N)=O)c(Nc2cccc(c2)S(C)(=O)=O)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C20H27N5O4S/c1-3-16-19(22-12-7-9-14(26)10-8-12)25-20(17(24-16)18(21)27)23-13-5-4-6-15(11-13)30(2,28)29/h4-6,11-12,14,26H,3,7-10H2,1-2H3,(H2,21,27)(H2,22,23,25)/t12-,14-
PDB

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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
EML4 ALK Fusion Protein


(Homo sapiens (Human))
BDBM144284
PNG
(US8969336, 328)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3cnn(C)c3c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C21H27N7O2/c1-3-16-20(24-13-6-8-15(29)9-7-13)27-21(18(26-16)19(22)30)25-14-5-4-12-11-23-28(2)17(12)10-14/h4-5,10-11,13,15,29H,3,6-9H2,1-2H3,(H2,22,30)(H2,24,25,27)/t13-,15-
PDB

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n/an/a 76n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated,...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair