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Compile Data Set for Download or QSAR

Found 458 hits from Dong-A Socio Holdings Co., Ltd.   
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
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298924
PNG
(US10125118, Example 330)
Show SMILES Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(C(=O)N3CCC(CC3)N3CCCC3)c(C)c2)cc1C
Show InChI InChI=1S/C37H47N5O3/c1-24-9-10-27(19-25(24)2)23-45-34-8-6-7-33(34)40-36(43)32-21-29(22-39-35(32)38)28-11-12-31(26(3)20-28)37(44)42-17-13-30(14-18-42)41-15-4-5-16-41/h9-12,19-22,30,33-34H,4-8,13-18,23H2,1-3H3,(H2,38,39)(H,40,43)/t33-,34-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298931
PNG
(US10125118, Example 337)
Show SMILES Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCC(C3)N3CCOCC3)cc2)cc1C
Show InChI InChI=1S/C35H45N5O3/c1-24-6-7-27(18-25(24)2)23-43-33-5-3-4-32(33)38-35(41)31-19-29(20-37-34(31)36)28-10-8-26(9-11-28)21-39-13-12-30(22-39)40-14-16-42-17-15-40/h6-11,18-20,30,32-33H,3-5,12-17,21-23H2,1-2H3,(H2,36,37)(H,38,41)/t30?,32-,33-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298936
PNG
(US10125118, Example 342)
Show SMILES Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cc(F)c(CN3CCC(N)C3)c(F)c2)cc1C
Show InChI InChI=1S/C31H37F2N5O2/c1-18-6-7-20(10-19(18)2)17-40-29-5-3-4-28(29)37-31(39)24-11-22(14-36-30(24)35)21-12-26(32)25(27(33)13-21)16-38-9-8-23(34)15-38/h6-7,10-14,23,28-29H,3-5,8-9,15-17,34H2,1-2H3,(H2,35,36)(H,37,39)/t23?,28-,29-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298941
PNG
(US10125118, Example 347)
Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(C)c(C)c2)C1
Show InChI InChI=1S/C33H43N5O2/c1-22-8-9-25(16-23(22)2)21-40-31-7-5-6-30(31)36-33(39)29-17-27(18-35-32(29)34)26-12-10-24(11-13-26)19-38-15-14-28(20-38)37(3)4/h8-13,16-18,28,30-31H,5-7,14-15,19-21H2,1-4H3,(H2,34,35)(H,36,39)/t28-,30-,31-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298942
PNG
(US10125118, Example 348)
Show SMILES Cc1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CC[C@@H](O)C3)cc2)cc1C
Show InChI InChI=1S/C31H38N4O3/c1-20-6-7-23(14-21(20)2)19-38-29-5-3-4-28(29)34-31(37)27-15-25(16-33-30(27)32)24-10-8-22(9-11-24)17-35-13-12-26(36)18-35/h6-11,14-16,26,28-29,36H,3-5,12-13,17-19H2,1-2H3,(H2,32,33)(H,34,37)/t26-,28+,29+/m1/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298954
PNG
(US10125118, Example 360)
Show SMILES CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(C)(C)N2CCN(CCO)CC2)ccc1C
Show InChI InChI=1S/C36H49N5O3/c1-5-27-21-26(10-9-25(27)2)24-44-33-8-6-7-32(33)39-35(43)31-22-29(23-38-34(31)37)28-11-13-30(14-12-28)36(3,4)41-17-15-40(16-18-41)19-20-42/h9-14,21-23,32-33,42H,5-8,15-20,24H2,1-4H3,(H2,37,38)(H,39,43)/t32-,33-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298957
PNG
(US10125118, Example 363)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C36H40FN5O2/c1-41-17-19-42(20-18-41)23-25-5-9-27(10-6-25)28-11-7-26(8-12-28)24-44-34-4-2-3-33(34)40-36(43)32-21-30(22-39-35(32)38)29-13-15-31(37)16-14-29/h5-16,21-22,33-34H,2-4,17-20,23-24H2,1H3,(H2,38,39)(H,40,43)/t33-,34-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298958
PNG
(US10125118, Example 364)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(F)c(F)c3)cc2)CC1
Show InChI InChI=1S/C36H39F2N5O2/c1-42-15-17-43(18-16-42)22-24-5-9-26(10-6-24)27-11-7-25(8-12-27)23-45-34-4-2-3-33(34)41-36(44)30-19-29(21-40-35(30)39)28-13-14-31(37)32(38)20-28/h5-14,19-21,33-34H,2-4,15-18,22-23H2,1H3,(H2,39,40)(H,41,44)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298960
PNG
(US10125118, Example 366)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C39H50N8O2/c1-44-16-14-34(15-17-44)47-26-33(24-42-47)32-22-35(38(40)41-23-32)39(48)43-36-4-3-5-37(36)49-27-29-8-12-31(13-9-29)30-10-6-28(7-11-30)25-46-20-18-45(2)19-21-46/h6-13,22-24,26,34,36-37H,3-5,14-21,25,27H2,1-2H3,(H2,40,41)(H,43,48)/t36-,37-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298961
PNG
(US10125118, Example 367)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(cc3)N3CCN(C)CC3)cc2)CC1
Show InChI InChI=1S/C41H51N7O2/c1-45-18-22-47(23-19-45)28-30-6-10-32(11-7-30)33-12-8-31(9-13-33)29-50-39-5-3-4-38(39)44-41(49)37-26-35(27-43-40(37)42)34-14-16-36(17-15-34)48-24-20-46(2)21-25-48/h6-17,26-27,38-39H,3-5,18-25,28-29H2,1-2H3,(H2,42,43)(H,44,49)/t38-,39-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298962
PNG
(US10125118, Example 368)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(CN4CCN(C)CC4)cc3)cc2)CC1
Show InChI InChI=1S/C42H53N7O2/c1-46-18-22-48(23-19-46)28-31-6-12-34(13-7-31)35-16-10-33(11-17-35)30-51-40-5-3-4-39(40)45-42(50)38-26-37(27-44-41(38)43)36-14-8-32(9-15-36)29-49-24-20-47(2)21-25-49/h6-17,26-27,39-40H,3-5,18-25,28-30H2,1-2H3,(H2,43,44)(H,45,50)/t39-,40-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298963
PNG
(US10125118, Example 369)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(CO)cc3)cc2)CC1
Show InChI InChI=1S/C37H43N5O3/c1-41-17-19-42(20-18-41)23-26-5-11-29(12-6-26)30-15-9-28(10-16-30)25-45-35-4-2-3-34(35)40-37(44)33-21-32(22-39-36(33)38)31-13-7-27(24-43)8-14-31/h5-16,21-22,34-35,43H,2-4,17-20,23-25H2,1H3,(H2,38,39)(H,40,44)/t34-,35-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298964
PNG
(US10125118, Example 370)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cccc(C)c3)cc2)CC1
Show InChI InChI=1S/C37H43N5O2/c1-26-5-3-6-31(21-26)32-22-33(36(38)39-23-32)37(43)40-34-7-4-8-35(34)44-25-28-11-15-30(16-12-28)29-13-9-27(10-14-29)24-42-19-17-41(2)18-20-42/h3,5-6,9-16,21-23,34-35H,4,7-8,17-20,24-25H2,1-2H3,(H2,38,39)(H,40,43)/t34-,35-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298965
PNG
(US10125118, Example 371)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccccc3)cc2)CC1
Show InChI InChI=1S/C36H41N5O2/c1-40-18-20-41(21-19-40)24-26-10-14-29(15-11-26)30-16-12-27(13-17-30)25-43-34-9-5-8-33(34)39-36(42)32-22-31(23-38-35(32)37)28-6-3-2-4-7-28/h2-4,6-7,10-17,22-23,33-34H,5,8-9,18-21,24-25H2,1H3,(H2,37,38)(H,39,42)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298966
PNG
(US10125118, Example 372)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(O)cc3)cc2)CC1
Show InChI InChI=1S/C36H41N5O3/c1-40-17-19-41(20-18-40)23-25-5-9-27(10-6-25)28-11-7-26(8-12-28)24-44-34-4-2-3-33(34)39-36(43)32-21-30(22-38-35(32)37)29-13-15-31(42)16-14-29/h5-16,21-22,33-34,42H,2-4,17-20,23-24H2,1H3,(H2,37,38)(H,39,43)/t33-,34-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298967
PNG
(US10125118, Example 373)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(Cl)c(F)c3)cc2)CC1
Show InChI InChI=1S/C36H39ClFN5O2/c1-42-15-17-43(18-16-42)22-24-5-9-26(10-6-24)27-11-7-25(8-12-27)23-45-34-4-2-3-33(34)41-36(44)30-19-29(21-40-35(30)39)28-13-14-31(37)32(38)20-28/h5-14,19-21,33-34H,2-4,15-18,22-23H2,1H3,(H2,39,40)(H,41,44)/t33-,34-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298968
PNG
(US10125118, Example 374)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(C)cnc3N)cc2)CC1
Show InChI InChI=1S/C31H39N5O2/c1-22-18-27(30(32)33-19-22)31(37)34-28-4-3-5-29(28)38-21-24-8-12-26(13-9-24)25-10-6-23(7-11-25)20-36-16-14-35(2)15-17-36/h6-13,18-19,28-29H,3-5,14-17,20-21H2,1-2H3,(H2,32,33)(H,34,37)/t28-,29-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298969
PNG
(US10125118, Example 375)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cccnc3)cc2)CC1
Show InChI InChI=1S/C35H40N6O2/c1-40-16-18-41(19-17-40)23-25-7-11-27(12-8-25)28-13-9-26(10-14-28)24-43-33-6-2-5-32(33)39-35(42)31-20-30(22-38-34(31)36)29-4-3-15-37-21-29/h3-4,7-15,20-22,32-33H,2,5-6,16-19,23-24H2,1H3,(H2,36,38)(H,39,42)/t32-,33-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298970
PNG
(US10125118, Example 376)
Show SMILES COc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C37H43N5O3/c1-41-18-20-42(21-19-41)24-26-6-10-28(11-7-26)29-12-8-27(9-13-29)25-45-35-5-3-4-34(35)40-37(43)33-22-31(23-39-36(33)38)30-14-16-32(44-2)17-15-30/h6-17,22-23,34-35H,3-5,18-21,24-25H2,1-2H3,(H2,38,39)(H,40,43)/t34-,35-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298971
PNG
(US10125118, Example 377)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccncc3)cc2)CC1
Show InChI InChI=1S/C35H40N6O2/c1-40-17-19-41(20-18-40)23-25-5-9-27(10-6-25)28-11-7-26(8-12-28)24-43-33-4-2-3-32(33)39-35(42)31-21-30(22-38-34(31)36)29-13-15-37-16-14-29/h5-16,21-22,32-33H,2-4,17-20,23-24H2,1H3,(H2,36,38)(H,39,42)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298972
PNG
(US10125118, Example 378)
Show SMILES CC1CCN(Cc2ccc(cc2)-c2cnc(N)c(c2)C(=O)N[C@H]2CCC[C@@H]2OCc2ccc(cc2)-c2ccc(CN3CCN(C)CC3)cc2)CC1
Show InChI InChI=1S/C43H54N6O2/c1-31-18-20-48(21-19-31)28-32-8-14-37(15-9-32)38-26-39(42(44)45-27-38)43(50)46-40-4-3-5-41(40)51-30-34-10-16-36(17-11-34)35-12-6-33(7-13-35)29-49-24-22-47(2)23-25-49/h6-17,26-27,31,40-41H,3-5,18-25,28-30H2,1-2H3,(H2,44,45)(H,46,50)/t40-,41-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298973
PNG
(US10125118, Example 379)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(CN4CCOCC4)cc3)cc2)CC1
Show InChI InChI=1S/C41H50N6O3/c1-45-17-19-46(20-18-45)27-30-5-11-33(12-6-30)34-15-9-32(10-16-34)29-50-39-4-2-3-38(39)44-41(48)37-25-36(26-43-40(37)42)35-13-7-31(8-14-35)28-47-21-23-49-24-22-47/h5-16,25-26,38-39H,2-4,17-24,27-29H2,1H3,(H2,42,43)(H,44,48)/t38-,39-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298974
PNG
(US10125118, Example 380)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(c3)C3CCOCC3)cc2)CC1
Show InChI InChI=1S/C38H47N7O3/c1-43-15-17-44(18-16-43)24-27-5-9-29(10-6-27)30-11-7-28(8-12-30)26-48-36-4-2-3-35(36)42-38(46)34-21-31(22-40-37(34)39)32-23-41-45(25-32)33-13-19-47-20-14-33/h5-12,21-23,25,33,35-36H,2-4,13-20,24,26H2,1H3,(H2,39,40)(H,42,46)/t35-,36-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298975
PNG
(US10125118, Example 381)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(cc3)N3CCOCC3)cc2)CC1
Show InChI InChI=1S/C40H48N6O3/c1-44-17-19-45(20-18-44)27-29-5-9-31(10-6-29)32-11-7-30(8-12-32)28-49-38-4-2-3-37(38)43-40(47)36-25-34(26-42-39(36)41)33-13-15-35(16-14-33)46-21-23-48-24-22-46/h5-16,25-26,37-38H,2-4,17-24,27-28H2,1H3,(H2,41,42)(H,43,47)/t37-,38-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298976
PNG
(US10125118, Example 382)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)C3=CCCCC3)cc2)CC1
Show InChI InChI=1S/C36H45N5O2/c1-40-18-20-41(21-19-40)24-26-10-14-29(15-11-26)30-16-12-27(13-17-30)25-43-34-9-5-8-33(34)39-36(42)32-22-31(23-38-35(32)37)28-6-3-2-4-7-28/h6,10-17,22-23,33-34H,2-5,7-9,18-21,24-25H2,1H3,(H2,37,38)(H,39,42)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298977
PNG
(US10125118, Example 383)
Show SMILES COc1ccc(cc1OC)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C38H45N5O4/c1-42-17-19-43(20-18-42)24-26-7-11-28(12-8-26)29-13-9-27(10-14-29)25-47-34-6-4-5-33(34)41-38(44)32-21-31(23-40-37(32)39)30-15-16-35(45-2)36(22-30)46-3/h7-16,21-23,33-34H,4-6,17-20,24-25H2,1-3H3,(H2,39,40)(H,41,44)/t33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298978
PNG
(US10125118, Example 384)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cc(F)nc(F)c3)cc2)CC1
Show InChI InChI=1S/C35H38F2N6O2/c1-42-13-15-43(16-14-42)21-23-5-9-25(10-6-23)26-11-7-24(8-12-26)22-45-31-4-2-3-30(31)40-35(44)29-17-28(20-39-34(29)38)27-18-32(36)41-33(37)19-27/h5-12,17-20,30-31H,2-4,13-16,21-22H2,1H3,(H2,38,39)(H,40,44)/t30-,31-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298979
PNG
(US10125118, Example 385)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cscc3C)cc2)CC1
Show InChI InChI=1S/C35H41N5O2S/c1-24-22-43-23-31(24)29-18-30(34(36)37-19-29)35(41)38-32-4-3-5-33(32)42-21-26-8-12-28(13-9-26)27-10-6-25(7-11-27)20-40-16-14-39(2)15-17-40/h6-13,18-19,22-23,32-33H,3-5,14-17,20-21H2,1-2H3,(H2,36,37)(H,38,41)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298980
PNG
(US10125118, Example 386)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3ccc(F)nc3)cc2)CC1
Show InChI InChI=1S/C35H39FN6O2/c1-41-15-17-42(18-16-41)22-24-5-9-26(10-6-24)27-11-7-25(8-12-27)23-44-32-4-2-3-31(32)40-35(43)30-19-29(21-39-34(30)37)28-13-14-33(36)38-20-28/h5-14,19-21,31-32H,2-4,15-18,22-23H2,1H3,(H2,37,39)(H,40,43)/t31-,32-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298981
PNG
(US10125118, Example 387)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(c3)C(F)(F)C(F)F)cc2)CC1
Show InChI InChI=1S/C35H39F4N7O2/c1-44-13-15-45(16-14-44)20-23-5-9-25(10-6-23)26-11-7-24(8-12-26)22-48-31-4-2-3-30(31)43-33(47)29-17-27(18-41-32(29)40)28-19-42-46(21-28)35(38,39)34(36)37/h5-12,17-19,21,30-31,34H,2-4,13-16,20,22H2,1H3,(H2,40,41)(H,43,47)/t30-,31-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298615
PNG
(US10125118, Example 21 | US10125118, Example 388)
Show SMILES CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C
Show InChI InChI=1S/C25H31N5O2/c1-4-18-10-17(9-8-16(18)2)15-32-23-7-5-6-22(23)29-25(31)21-11-19(12-27-24(21)26)20-13-28-30(3)14-20/h8-14,22-23H,4-7,15H2,1-3H3,(H2,26,27)(H,29,31)/t22-,23-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298983
PNG
(US10125118, Example 389)
Show SMILES CCc1cc(CO[C@H]2CNCC2NC(=O)c2cc(cnc2N)-c2ccc(CO)cc2)ccc1C
Show InChI InChI=1S/C27H32N4O3/c1-3-20-10-19(5-4-17(20)2)16-34-25-14-29-13-24(25)31-27(33)23-11-22(12-30-26(23)28)21-8-6-18(15-32)7-9-21/h4-12,24-25,29,32H,3,13-16H2,1-2H3,(H2,28,30)(H,31,33)/t24?,25-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298984
PNG
(US10125118, Example 390)
Show SMILES CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(CN3CCN(C)CC3)cc2)ccc1C
Show InChI InChI=1S/C32H42N6O2/c1-4-25-15-24(6-5-22(25)2)21-40-30-19-34-18-29(30)36-32(39)28-16-27(17-35-31(28)33)26-9-7-23(8-10-26)20-38-13-11-37(3)12-14-38/h5-10,15-17,29-30,34H,4,11-14,18-21H2,1-3H3,(H2,33,35)(H,36,39)/t29-,30-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298985
PNG
(US10125118, Example 391)
Show SMILES CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(cc2)C(N)=O)ccc1C
Show InChI InChI=1S/C27H31N5O3/c1-3-18-10-17(5-4-16(18)2)15-35-24-14-30-13-23(24)32-27(34)22-11-21(12-31-25(22)28)19-6-8-20(9-7-19)26(29)33/h4-12,23-24,30H,3,13-15H2,1-2H3,(H2,28,31)(H2,29,33)(H,32,34)/t23-,24-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298615
PNG
(US10125118, Example 21 | US10125118, Example 388)
Show SMILES CCc1cc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C
Show InChI InChI=1S/C25H31N5O2/c1-4-18-10-17(9-8-16(18)2)15-32-23-7-5-6-22(23)29-25(31)21-11-19(12-27-24(21)26)20-13-28-30(3)14-20/h8-14,22-23H,4-7,15H2,1-3H3,(H2,26,27)(H,29,31)/t22-,23-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298790
PNG
(US10125118, Example 196)
Show SMILES CN1CCN(Cc2c(F)cc(cc2F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C34H39F2N7O2/c1-41-10-12-43(13-11-41)20-28-29(35)15-24(16-30(28)36)23-8-6-22(7-9-23)21-45-32-5-3-4-31(32)40-34(44)27-14-25(17-38-33(27)37)26-18-39-42(2)19-26/h6-9,14-19,31-32H,3-5,10-13,20-21H2,1-2H3,(H2,37,38)(H,40,44)/t31-,32-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298791
PNG
(US10125118, Example 197)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C35H40F3N7O2/c1-43-12-14-45(15-13-43)21-26-11-10-25(17-30(26)35(36,37)38)24-8-6-23(7-9-24)22-47-32-5-3-4-31(32)42-34(46)29-16-27(18-40-33(29)39)28-19-41-44(2)20-28/h6-11,16-20,31-32H,3-5,12-15,21-22H2,1-2H3,(H2,39,40)(H,42,46)/t31-,32-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

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Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298792
PNG
(US10125118, Example 198)
Show SMILES CN1CCN(Cc2ccc(cc2C)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C35H43N7O2/c1-24-17-27(11-12-28(24)22-42-15-13-40(2)14-16-42)26-9-7-25(8-10-26)23-44-33-6-4-5-32(33)39-35(43)31-18-29(19-37-34(31)36)30-20-38-41(3)21-30/h7-12,17-21,32-33H,4-6,13-16,22-23H2,1-3H3,(H2,36,37)(H,39,43)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298793
PNG
(US10125118, Example 199)
Show SMILES CN1CCN(Cc2ccc(cc2O)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C34H41N7O3/c1-39-12-14-41(15-13-39)21-26-11-10-25(17-31(26)42)24-8-6-23(7-9-24)22-44-32-5-3-4-30(32)38-34(43)29-16-27(18-36-33(29)35)28-19-37-40(2)20-28/h6-11,16-20,30,32,42H,3-5,12-15,21-22H2,1-2H3,(H2,35,36)(H,38,43)/t30-,32-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

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Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298794
PNG
(US10125118, Example 200)
Show SMILES CN1CCN(Cc2ccc(cc2[N+]([O-])=O)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C34H40N8O4/c1-39-12-14-41(15-13-39)21-26-11-10-25(17-31(26)42(44)45)24-8-6-23(7-9-24)22-46-32-5-3-4-30(32)38-34(43)29-16-27(18-36-33(29)35)28-19-37-40(2)20-28/h6-11,16-20,30,32H,3-5,12-15,21-22H2,1-2H3,(H2,35,36)(H,38,43)/t30-,32-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

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Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298796
PNG
(US10125118, Example 202)
Show SMILES CN1CCN(Cc2ccc(c(Cl)c2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C34H40ClN7O2/c1-40-12-14-42(15-13-40)20-24-8-11-28(30(35)16-24)25-9-6-23(7-10-25)22-44-32-5-3-4-31(32)39-34(43)29-17-26(18-37-33(29)36)27-19-38-41(2)21-27/h6-11,16-19,21,31-32H,3-5,12-15,20,22H2,1-2H3,(H2,36,37)(H,39,43)/t31-,32-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

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Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298797
PNG
(US10125118, Example 203)
Show SMILES CN1CCN(Cc2ccc(cn2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C33H40N8O2/c1-39-12-14-41(15-13-39)21-28-11-10-25(17-35-28)24-8-6-23(7-9-24)22-43-31-5-3-4-30(31)38-33(42)29-16-26(18-36-32(29)34)27-19-37-40(2)20-27/h6-11,16-20,30-31H,3-5,12-15,21-22H2,1-2H3,(H2,34,36)(H,38,42)/t30-,31-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

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Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298798
PNG
(US10125118, Example 204)
Show SMILES CN1CCN(Cc2ccc(nc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C33H40N8O2/c1-39-12-14-41(15-13-39)20-24-8-11-29(35-17-24)25-9-6-23(7-10-25)22-43-31-5-3-4-30(31)38-33(42)28-16-26(18-36-32(28)34)27-19-37-40(2)21-27/h6-11,16-19,21,30-31H,3-5,12-15,20,22H2,1-2H3,(H2,34,36)(H,38,42)/t30-,31-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298799
PNG
(US10125118, Example 205)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C36H42F3N7O3/c1-44-21-29(20-42-44)28-17-30(34(40)41-19-28)35(48)43-32-3-2-4-33(32)49-23-24-5-7-25(8-6-24)26-9-10-27(31(18-26)36(37,38)39)22-46-13-11-45(12-14-46)15-16-47/h5-10,17-21,32-33,47H,2-4,11-16,22-23H2,1H3,(H2,40,41)(H,43,48)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298800
PNG
(US10125118, Example 206)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1Cl
Show InChI InChI=1S/C35H42ClN7O3/c1-41-22-28(20-39-41)27-18-30(34(37)38-19-27)35(45)40-32-3-2-4-33(32)46-23-24-5-8-26(9-6-24)29-10-7-25(17-31(29)36)21-43-13-11-42(12-14-43)15-16-44/h5-10,17-20,22,32-33,44H,2-4,11-16,21,23H2,1H3,(H2,37,38)(H,40,45)/t32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298801
PNG
(US10125118, Example 207)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cccnc3N)cc2)CC1
Show InChI InChI=1S/C31H36F3N5O2/c1-38-14-16-39(17-15-38)19-24-12-11-23(18-26(24)31(32,33)34)22-9-7-21(8-10-22)20-41-28-6-2-5-27(28)37-30(40)25-4-3-13-36-29(25)35/h3-4,7-13,18,27-28H,2,5-6,14-17,19-20H2,1H3,(H2,35,36)(H,37,40)/t27-,28-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298802
PNG
(2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-((1S,2S)-2-...)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C35H43N7O2/c1-24(42-17-15-40(2)16-18-42)26-11-13-28(14-12-26)27-9-7-25(8-10-27)23-44-33-6-4-5-32(33)39-35(43)31-19-29(20-37-34(31)36)30-21-38-41(3)22-30/h7-14,19-22,24,32-33H,4-6,15-18,23H2,1-3H3,(H2,36,37)(H,39,43)/t24?,32-,33-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298803
PNG
(US10125118, Example 209)
Show SMILES CC(N1C[C@H](C)N(C)[C@H](C)C1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C37H47N7O2/c1-24-20-44(21-25(2)43(24)5)26(3)28-13-15-30(16-14-28)29-11-9-27(10-12-29)23-46-35-8-6-7-34(35)41-37(45)33-17-31(18-39-36(33)38)32-19-40-42(4)22-32/h9-19,22,24-26,34-35H,6-8,20-21,23H2,1-5H3,(H2,38,39)(H,41,45)/t24-,25+,26?,34-,35-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298804
PNG
(US10125118, Example 210)
Show SMILES CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C36H45N7O3/c1-25(43-16-14-42(15-17-43)18-19-44)27-10-12-29(13-11-27)28-8-6-26(7-9-28)24-46-34-5-3-4-33(34)40-36(45)32-20-30(21-38-35(32)37)31-22-39-41(2)23-31/h6-13,20-23,25,33-34,44H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,45)/t25?,33-,34-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM298805
PNG
(US10125118, Example 211)
Show SMILES CC(N1C[C@H](C)N(CCO)[C@H](C)C1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C38H49N7O3/c1-25-21-44(22-26(2)45(25)16-17-46)27(3)29-12-14-31(15-13-29)30-10-8-28(9-11-30)24-48-36-7-5-6-35(36)42-38(47)34-18-32(19-40-37(34)39)33-20-41-43(4)23-33/h8-15,18-20,23,25-27,35-36,46H,5-7,16-17,21-22,24H2,1-4H3,(H2,39,40)(H,42,47)/t25-,26+,27?,35-,36-/m0/s1
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Dong-A Socio Holdings Co., Ltd.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

More data for this
Ligand-Target Pair
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