Found 41 hits of ic50 for UniProtKB: A9YLN7 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144297
(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 |r,wU:40.44,wD:37.40,(6.72,.8,;6.72,-.74,;8.22,-1.06,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-1.33,-3.85,;-4.05,-3.88,;-5.38,-4.65,;-3.28,-5.21,;-4.82,-2.54,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144299
(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 |r,wU:36.40,wD:33.36,36.41,(-2.38,6.54,;-2.38,5,;-1.05,4.23,;.29,5,;1.62,4.23,;2.96,5,;4.29,4.23,;2.96,6.54,;1.62,2.69,;2.96,1.92,;2.96,.38,;4.29,-.39,;4.29,-1.93,;2.96,-2.7,;2.96,-4.24,;4.29,-5.01,;4.29,-6.55,;2.96,-7.32,;1.62,-6.55,;1.62,-5.01,;2.96,-8.86,;4.29,-9.63,;4.29,-11.17,;2.96,-11.94,;2.96,-13.48,;1.62,-11.17,;1.62,-9.63,;1.62,-1.93,;.29,-2.7,;1.62,-.39,;.29,1.92,;-1.05,2.69,;-2.38,1.92,;-3.71,2.69,;-3.71,4.23,;-5.05,5,;-6.38,4.23,;-7.2,5.53,;-7.92,4.28,;-6.38,2.69,;-5.05,1.92,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144298
(US8969336, 391)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 |r,wU:30.33,wD:27.29,30.34,(-2.16,5.31,;-2.16,3.77,;-.82,3,;.51,3.77,;1.84,3,;3.18,3.77,;4.51,3,;3.18,5.31,;1.84,1.46,;3.18,.69,;3.18,-.85,;4.51,-1.62,;4.51,-3.16,;3.18,-3.93,;3.18,-5.47,;4.51,-6.24,;4.51,-7.78,;3.18,-8.55,;3.18,-10.09,;1.84,-7.78,;1.84,-6.24,;1.84,-3.16,;.51,-3.93,;1.84,-1.62,;.51,.69,;-.82,1.46,;-2.16,.69,;-3.49,1.46,;-3.49,3,;-4.83,3.77,;-6.16,3,;-6.98,4.31,;-7.7,3.06,;-6.16,1.46,;-4.83,.69,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144295
(US8969336, 383)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(OC)c(c2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,(4.72,3.31,;4.72,1.77,;3.38,1,;2,1.75,;.67,.98,;-.1,2.31,;.67,3.64,;-1.64,2.31,;.67,-.56,;-.67,-1.33,;-2,-.56,;-2,.98,;-3.33,1.75,;-4.72,1,;-6.05,1.77,;-7.38,1,;-4.67,-.56,;-3.33,-1.33,;-6,-1.33,;-7.34,-.56,;-8.67,-1.33,;-8.72,-2.9,;-10.05,-3.67,;-7.34,-3.64,;-6,-2.87,;2,-1.33,;3.33,-.56,;4.67,-1.33,;6,-.56,;7.34,-1.33,;8.67,-.56,;8.67,.98,;10,1.75,;7.34,1.75,;6,.98,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144293
(US8969336, 377)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:27.29,wD:30.33,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.39,;.67,-.38,;-.1,.95,;.67,2.28,;-1.44,1.72,;.67,-1.92,;-.67,-2.69,;-2,-1.92,;-2,-.38,;-3.33,.39,;-4.67,-.38,;-6,.39,;-6,1.93,;-7.34,2.7,;-8.72,1.95,;-10.05,2.72,;-8.67,.39,;-7.34,-.38,;-4.72,-1.95,;-6.05,-2.72,;-3.33,-2.69,;2,-2.69,;3.33,-1.92,;4.67,-2.69,;6,-1.92,;6,-.38,;7.34,.39,;8.67,-.38,;10,.39,;8.67,-1.92,;7.34,-2.69,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144303
(US8969336, 459)Show SMILES CCOc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(CC)nc2C(N)=O)ccc1N1CCC(CC1)N1CCN(C)CC1 |r,wU:14.14,wD:11.10,(-5.38,-6.19,;-4.05,-5.42,;-4.05,-3.88,;-2.72,-3.11,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,;5.38,-1.51,;6.72,-.74,;6.72,.8,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144294
(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 |r,wU:33.36,wD:36.40,(6.72,.8,;6.72,-.74,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-4.05,-3.88,;-1.33,-3.85,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8,-1.54,;9.34,-.77,;10.67,-1.54,;12,-.77,;10.67,-3.08,;9.34,-3.85,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144296
(US8969336, 387)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:26.28,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.38,;.67,-.38,;-.1,.95,;.67,2.28,;-1.64,.95,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144290
(US8969336, 355)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.38,;.67,-.38,;-.42,.7,;-.42,2.24,;-1.91,.31,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;-4.72,-1.95,;-6.05,-2.72,;-6.05,-4.26,;-3.33,-2.69,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144301
(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 |r,wU:31.33,wD:34.37,(3.9,1.43,;3.9,-.11,;2.57,-.88,;1.18,-.13,;-.15,-.9,;-.92,.43,;-.15,1.76,;-2.46,.43,;-.15,-2.44,;-1.48,-3.21,;-2.82,-2.44,;-2.82,-.9,;-4.15,-.13,;-5.48,-.9,;-6.82,-.13,;-8.28,-.61,;-9.19,.64,;-8.28,1.88,;-6.82,1.41,;-9.05,3.21,;-8.28,4.55,;-10.59,3.21,;-5.53,-2.47,;-4.15,-3.21,;-6.87,-3.24,;-8.2,-4.01,;-6.1,-4.58,;-7.64,-1.91,;1.18,-3.21,;2.52,-2.44,;3.85,-3.21,;5.19,-2.44,;5.19,-.9,;6.52,-.13,;7.85,-.9,;9.19,-.13,;7.85,-2.44,;6.52,-3.21,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144285
(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 |r,wU:37.41,wD:34.37,(6.72,.8,;6.72,-.74,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-4.05,-3.88,;-4.05,-5.42,;-1.33,-3.85,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144302
(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 |r,wU:29.31,wD:32.35,(5.38,1.18,;5.38,-.36,;4.05,-1.13,;2.67,-.38,;1.33,-1.15,;.56,.18,;1.33,1.51,;-.98,.18,;1.33,-2.69,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;-2.67,-.38,;-4,-1.15,;-5.33,-.38,;-5.33,1.15,;-6.67,1.93,;-8.05,1.18,;-8,-.38,;-6.67,-1.15,;-9.38,1.95,;-10.72,1.18,;-9.38,3.49,;-4.05,-2.72,;-5.38,-3.49,;-2.67,-3.47,;2.67,-3.47,;4,-2.69,;5.33,-3.47,;6.67,-2.69,;6.67,-1.15,;8,-.38,;9.34,-1.15,;10.67,-.38,;9.34,-2.69,;8,-3.47,)| Show InChI InChI=1S/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
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144292
(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 |r,wU:39.43,wD:36.39,(6.72,.8,;6.72,-.74,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.58,-.45,;1.98,1.04,;.09,-.85,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-1.33,-3.85,;-4.05,-3.88,;-5.38,-4.65,;-3.28,-5.21,;-4.82,-2.54,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,)| Show InChI InChI=1S/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
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144289
(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 |r,wU:33.36,wD:30.32,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.38,;.67,-.38,;-.1,.95,;.67,2.28,;-1.64,.95,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;-4.72,-1.95,;-3.33,-2.69,;-6.05,-2.72,;-7.38,-3.49,;-5.28,-4.06,;-6.82,-1.39,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)| Show InChI InChI=1S/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
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144304
(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 |r,wU:36.41,wD:33.36,36.40,(-7.42,.35,;-6.09,-.42,;-4.75,.35,;-4.75,1.89,;-3.42,2.66,;-3.42,4.2,;-4.75,4.97,;-2.09,4.97,;-2.09,1.89,;-.75,2.66,;.58,1.89,;1.91,2.66,;3.25,1.89,;3.25,.35,;4.58,-.42,;5.92,.35,;7.25,-.42,;7.25,-1.96,;5.92,-2.73,;4.58,-1.96,;8.58,-2.73,;9.92,-1.96,;11.25,-2.73,;11.25,-4.27,;12.58,-5.04,;9.92,-5.04,;8.58,-4.27,;1.91,-.42,;1.91,-1.96,;.58,.35,;-2.09,.35,;-3.42,-.42,;-3.42,-1.96,;-4.75,-2.73,;-6.09,-1.96,;-7.42,-2.73,;-7.42,-4.27,;-8.96,-4.32,;-8.24,-5.58,;-6.09,-5.04,;-4.75,-4.27,)| Show InChI InChI=1S/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
B.MOAD
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AffyNet
| PC cid
PC sid
UniChem
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| US Patent
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144300
(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 |r,wU:32.35,wD:35.39,(5.38,1.95,;5.38,.41,;4.05,-.36,;2.67,.38,;1.33,-.38,;.56,.95,;1.33,2.28,;-.98,.95,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;-4,-.38,;-5.33,.38,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-8,.38,;-6.67,-.38,;-9.34,2.69,;-9.73,4.18,;-10.82,2.3,;-4.05,-1.95,;-2.67,-2.69,;-5.38,-2.72,;-6.72,-3.49,;-4.61,-4.06,;-6.15,-1.39,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;6.67,-.38,;8,.38,;9.34,-.38,;10.67,.38,;9.34,-1.93,;8,-2.69,)| Show InChI InChI=1S/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
UniProtKB/TrEMBL
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144281
(US8969336, 110)Show SMILES CCc1nc(C(N)=O)c(Nc2cccc(c2)S(C)(=O)=O)nc1N[C@H]1CC[C@](C)(O)CC1 |r,wU:26.29,wD:23.24,26.28,(-2.44,4.31,;-2.44,2.77,;-1.1,2,;.23,2.77,;1.56,2,;2.9,2.77,;2.9,4.31,;4.23,2,;1.56,.46,;2.9,-.31,;2.9,-1.85,;1.56,-2.62,;1.56,-4.16,;2.9,-4.93,;4.23,-4.16,;4.23,-2.62,;5.56,-4.93,;6.33,-3.59,;6.9,-5.7,;4.79,-6.26,;.23,-.31,;-1.1,.46,;-2.44,-.31,;-3.77,.46,;-3.77,2,;-5.1,2.77,;-6.44,2,;-7.98,2.06,;-7.25,3.31,;-6.44,.46,;-5.1,-.31,)| Show InChI InChI=1S/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
UniProtKB/TrEMBL
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144310
(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
UniProtKB/TrEMBL
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| PC cid
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UniChem
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144318
(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) | PDB
UniProtKB/TrEMBL
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144309
(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) | PDB
UniProtKB/TrEMBL
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| PC cid
PC sid
UniChem
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| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144315
(Gilteritinib | US11512074, Example T-9 | US8969336...)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) | PDB
UniProtKB/TrEMBL
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MCE
PC cid
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UniChem
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| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144288
(US8969336, 347)Show SMILES CCc1nc(C(N)=O)c(Nc2cccc(c2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:26.28,(4.72,3.31,;4.72,1.77,;3.38,1,;2,1.75,;.67,.98,;-.1,2.31,;.67,3.64,;-1.64,2.31,;.67,-.56,;-.67,-1.33,;-2,-.56,;-2,.98,;-3.33,1.75,;-4.67,.98,;-4.67,-.56,;-3.33,-1.33,;-6,-1.33,;-7.34,-.56,;-8.67,-1.33,;-8.72,-2.9,;-10.05,-3.67,;-7.34,-3.64,;-6,-2.87,;2,-1.33,;3.33,-.56,;4.67,-1.33,;6,-.56,;7.34,-1.33,;8.67,-.56,;8.67,.98,;10,1.75,;7.34,1.75,;6,.98,)| Show InChI InChI=1S/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- | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144312
(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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144287
(US8969336, 343)Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:30.33,wD:27.29,(4.72,1.95,;4.72,.41,;6.22,.09,;3.38,-.36,;2,.38,;.67,-.38,;-.1,.95,;.67,2.28,;-1.64,.95,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)| Show InChI InChI=1S/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- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144316
(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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144320
(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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144311
(US8969336, 538)Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)cc1C |r,wU:25.27,wD:22.23,(-12.05,3.88,;-10.72,3.11,;-9.34,3.85,;-8,3.08,;-8,1.54,;-9.34,.77,;-10.67,1.54,;-6.67,.77,;-5.33,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,;5.33,-1.54,;6.67,-.77,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;-1.33,-3.85,;-2.72,-3.11,;-4.05,-3.88,)| Show InChI InChI=1S/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- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144307
(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 |(-7.05,.53,;-5.71,-.24,;-4.38,.53,;-4.38,2.07,;-3.05,2.84,;-3.05,4.38,;-4.38,5.15,;-1.71,5.15,;-1.71,2.07,;-.38,2.84,;.96,2.07,;2.29,2.84,;3.62,2.07,;3.62,.53,;4.96,-.24,;6.29,.53,;7.62,-.24,;7.62,-1.78,;6.29,-2.55,;4.96,-1.78,;8.96,-2.55,;10.29,-1.78,;11.63,-2.55,;11.63,-4.09,;12.96,-4.86,;10.29,-4.86,;8.96,-4.09,;2.29,-.24,;2.29,-1.78,;.96,.53,;-1.71,.53,;-3.05,-.24,;-3.05,-1.78,;-4.38,-2.55,;-4.38,-4.09,;-5.71,-4.86,;-7.05,-4.09,;-7.86,-5.39,;-7.05,-2.55,;-5.71,-1.78,;-8.59,-4.14,;-9.31,-5.5,;-9.4,-2.83,)| 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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144306
(US8969336, 491)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCC(O)(CC)CC1 |(-6.87,.46,;-5.54,-.31,;-4.2,.46,;-4.2,2,;-2.87,2.77,;-2.87,4.31,;-4.2,5.08,;-1.54,5.08,;-1.54,2,;-.2,2.77,;1.13,2,;2.46,2.77,;3.8,2,;3.8,.46,;5.13,-.31,;6.46,.46,;7.8,-.31,;7.8,-1.85,;6.46,-2.62,;5.13,-1.85,;9.13,-2.62,;10.47,-1.85,;11.8,-2.62,;11.8,-4.16,;13.13,-4.93,;10.47,-4.93,;9.13,-4.16,;2.46,-.31,;2.46,-1.85,;1.13,.46,;-1.54,.46,;-2.87,-.31,;-2.87,-1.85,;-4.2,-2.62,;-4.2,-4.16,;-5.54,-4.93,;-6.87,-4.16,;-7.69,-5.47,;-8.41,-4.22,;-9.13,-5.58,;-6.87,-2.62,;-5.54,-1.85,)| 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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144286
(US8969336, 341)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:35.39,wD:32.35,(6.72,.8,;6.72,-.74,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.9,-.21,;2.67,1.13,;.36,-.21,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,)| Show InChI InChI=1S/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- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144305
(US8969336, 490)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCC(O)(CC)CC1 |(-6.87,.45,;-5.54,-.32,;-4.21,.45,;-4.21,1.99,;-2.87,2.76,;-2.87,4.3,;-4.21,5.07,;-1.54,5.07,;-1.54,1.99,;-.2,2.76,;1.13,1.99,;2.46,2.76,;3.8,1.99,;3.8,.45,;5.13,-.32,;6.46,.45,;7.8,-.32,;7.8,-1.86,;6.46,-2.63,;5.13,-1.86,;9.13,-2.63,;10.46,-1.86,;11.8,-2.63,;11.8,-4.17,;13.13,-4.94,;10.46,-4.94,;9.13,-4.17,;2.46,-.32,;2.46,-1.86,;1.13,.45,;-1.54,.45,;-2.87,-.32,;-2.87,-1.86,;-4.21,-2.63,;-4.21,-4.17,;-5.54,-4.94,;-6.87,-4.17,;-7.69,-5.48,;-8.41,-4.23,;-9.14,-5.59,;-6.87,-2.63,;-5.54,-1.86,)| 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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144307
(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 |(-7.05,.53,;-5.71,-.24,;-4.38,.53,;-4.38,2.07,;-3.05,2.84,;-3.05,4.38,;-4.38,5.15,;-1.71,5.15,;-1.71,2.07,;-.38,2.84,;.96,2.07,;2.29,2.84,;3.62,2.07,;3.62,.53,;4.96,-.24,;6.29,.53,;7.62,-.24,;7.62,-1.78,;6.29,-2.55,;4.96,-1.78,;8.96,-2.55,;10.29,-1.78,;11.63,-2.55,;11.63,-4.09,;12.96,-4.86,;10.29,-4.86,;8.96,-4.09,;2.29,-.24,;2.29,-1.78,;.96,.53,;-1.71,.53,;-3.05,-.24,;-3.05,-1.78,;-4.38,-2.55,;-4.38,-4.09,;-5.71,-4.86,;-7.05,-4.09,;-7.86,-5.39,;-7.05,-2.55,;-5.71,-1.78,;-8.59,-4.14,;-9.31,-5.5,;-9.4,-2.83,)| 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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144319
(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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144283
(US8969336, 325)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:26.28,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.38,;.67,-.38,;-.1,.95,;.67,2.28,;-1.64,.95,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)| Show InChI InChI=1S/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- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144314
(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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144282
(US8969336, 284)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:34.37,wD:37.41,(6.72,1.95,;6.72,.41,;5.38,-.36,;4,.38,;2.67,-.38,;1.9,.95,;2.67,2.28,;.36,.95,;2.67,-1.93,;1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-2.67,-.38,;-2.67,-1.93,;-1.37,-2.8,;-1.39,-4.34,;-.07,-5.13,;-4,.38,;-4,1.93,;-5.33,2.69,;-6.67,1.93,;-6.67,.38,;-5.33,-.38,;-8,2.69,;-8,4.23,;-9.34,5,;-10.72,4.26,;-12.05,5.03,;-10.67,2.69,;-9.34,1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;9.34,.39,;10.67,-.38,;12,.38,;10.67,-1.93,;9.34,-2.7,)| Show InChI InChI=1S/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- | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144317
(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) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144313
(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
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144291
(US8969336, 357)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCOCC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:28.31,wD:25.27,(4.05,1.95,;4.05,.41,;2.72,-.36,;1.33,.38,;,-.38,;-.77,.95,;,2.28,;-2.31,.95,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-6.67,.38,;-6.67,1.93,;-8,2.69,;-9.34,1.93,;-9.34,.38,;-8,-.38,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;9.34,.38,;6.67,.38,;5.33,-.38,)| Show InChI InChI=1S/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
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144280
(US8969336, 86)Show SMILES CCc1nc(C(N)=O)c(Nc2cccc(c2)S(C)(=O)=O)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:23.24,wD:26.28,(-3.03,4.4,;-3.03,2.86,;-1.7,2.09,;-.36,2.86,;.97,2.09,;2.3,2.86,;2.3,4.4,;3.64,2.09,;.97,.55,;2.3,-.22,;2.3,-1.76,;.97,-2.53,;.97,-4.07,;2.3,-4.84,;3.64,-4.07,;3.64,-2.53,;4.97,-4.84,;5.74,-3.51,;6.31,-5.61,;4.2,-6.18,;-.36,-.22,;-1.7,.55,;-3.03,-.22,;-4.36,.55,;-5.7,-.22,;-7.03,.55,;-7.03,2.09,;-8.37,2.86,;-5.7,2.86,;-4.36,2.09,)| Show InChI InChI=1S/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
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor
(Homo sapiens (Human)) | BDBM144284
(US8969336, 328)Show SMILES CCc1nc(C(N)=O)c(Nc2ccc3cnn(C)c3c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(3.23,2.68,;3.23,1.14,;1.9,.37,;.52,1.11,;-.82,.34,;-1.59,1.67,;-.82,3.01,;-3.13,1.67,;-.82,-1.2,;-2.15,-1.97,;-3.48,-1.2,;-3.48,.34,;-4.82,1.11,;-6.15,.34,;-7.61,.82,;-8.52,-.43,;-7.61,-1.67,;-8.09,-3.14,;-6.15,-1.2,;-4.82,-1.97,;.52,-1.97,;1.85,-1.2,;3.19,-1.97,;4.52,-1.2,;4.52,.34,;5.85,1.11,;7.19,.34,;8.52,1.11,;7.19,-1.2,;5.85,-1.97,)| Show InChI InChI=1S/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
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2NV9GZW |
More data for this
Ligand-Target Pair | |
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