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Patent code US10125118

Compile Data Set for Download or QSAR

Found 458 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Mer


(Homo sapiens)
BDBM299041
PNG
(US10125118, Example 447)
Show SMILES CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C35H44N8O3/c1-40-22-32(39-35(45)31-17-29(18-37-34(31)36)30-19-38-41(2)21-30)33(23-40)46-24-26-5-9-28(10-6-26)27-7-3-25(4-8-27)20-43-13-11-42(12-14-43)15-16-44/h3-10,17-19,21,32-33,44H,11-16,20,22-24H2,1-2H3,(H2,36,37)(H,39,45)/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)
BDBM298988
PNG
(US10125118, Example 394)
Show SMILES CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccccc2)ccc1C
Show InChI InChI=1S/C26H30N4O2/c1-3-19-11-18(10-9-17(19)2)16-32-24-15-28-14-23(24)30-26(31)22-12-21(13-29-25(22)27)20-7-5-4-6-8-20/h4-13,23-24,28H,3,14-16H2,1-2H3,(H2,27,29)(H,30,31)/t23-,24-/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)
BDBM298989
PNG
(US10125118, Example 395)
Show SMILES CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccncc2)ccc1C
Show InChI InChI=1S/C25H29N5O2/c1-3-18-10-17(5-4-16(18)2)15-32-23-14-28-13-22(23)30-25(31)21-11-20(12-29-24(21)26)19-6-8-27-9-7-19/h4-12,22-23,28H,3,13-15H2,1-2H3,(H2,26,29)(H,30,31)/t22-,23-/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)
BDBM299020
PNG
(US10125118, Example 426 | US10125118, Example 433)
Show SMILES CCc1cc(CO[C@H]2CN(C)C[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)ccc1C
Show InChI InChI=1S/C25H32N6O2/c1-5-18-8-17(7-6-16(18)2)15-33-23-14-30(3)13-22(23)29-25(32)21-9-19(10-27-24(21)26)20-11-28-31(4)12-20/h6-12,22-23H,5,13-15H2,1-4H3,(H2,26,27)(H,29,32)/t22-,23-/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)
BDBM299032
PNG
(US10125118, Example 438)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C34H42N8O2/c1-23(42-14-12-40(2)13-15-42)25-8-10-27(11-9-25)26-6-4-24(5-7-26)22-44-32-20-36-19-31(32)39-34(43)30-16-28(17-37-33(30)35)29-18-38-41(3)21-29/h4-11,16-18,21,23,31-32,36H,12-15,19-20,22H2,1-3H3,(H2,35,37)(H,39,43)/t23?,31-,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)
BDBM299039
PNG
(US10125118, Example 445)
Show SMILES CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C36H43F3N8O3/c1-44-21-32(43-35(49)30-15-28(17-41-34(30)40)29-18-42-45(2)19-29)33(22-44)50-23-24-3-5-25(6-4-24)26-7-8-27(31(16-26)36(37,38)39)20-47-11-9-46(10-12-47)13-14-48/h3-8,15-19,32-33,48H,9-14,20-23H2,1-2H3,(H2,40,41)(H,43,49)/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)
BDBM298738
PNG
(US10125118, Example 144)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN)cc1
Show InChI InChI=1S/C29H32N6O2/c1-35-17-24(16-33-35)23-13-25(28(31)32-15-23)29(36)34-26-3-2-4-27(26)37-18-20-7-11-22(12-8-20)21-9-5-19(14-30)6-10-21/h5-13,15-17,26-27H,2-4,14,18,30H2,1H3,(H2,31,32)(H,34,36)/t26-,27-/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)
BDBM298742
PNG
(US10125118, Example 148)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C32H38N8O2/c1-38-12-14-40(15-13-38)30-11-10-24(17-34-30)23-8-6-22(7-9-23)21-42-29-5-3-4-28(29)37-32(41)27-16-25(18-35-31(27)33)26-19-36-39(2)20-26/h6-11,16-20,28-29H,3-5,12-15,21H2,1-2H3,(H2,33,35)(H,37,41)/t28-,29-/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)
BDBM298753
PNG
(US10125118, Example 159)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2Cl)CC1
Show InChI InChI=1S/C34H40ClN7O2/c1-40-12-14-42(15-13-40)20-23-6-9-25(10-7-23)28-11-8-24(16-30(28)35)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.

US Patent


Assay Description
TBD


US Patent US10125118 (2018)

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


(Homo sapiens)
BDBM298777
PNG
(US10125118, Example 183)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C35H43N7O2/c1-3-41-15-17-42(18-16-41)22-25-7-11-27(12-8-25)28-13-9-26(10-14-28)24-44-33-6-4-5-32(33)39-35(43)31-19-29(20-37-34(31)36)30-21-38-40(2)23-30/h7-14,19-21,23,32-33H,3-6,15-18,22,24H2,1-2H3,(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)
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)
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)
BDBM298810
PNG
(US10125118, Example 216)
Show SMILES CN1CCN(CC1)C1(CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C36H43N7O2/c1-41-16-18-43(19-17-41)36(14-15-36)30-12-10-27(11-13-30)26-8-6-25(7-9-26)24-45-33-5-3-4-32(33)40-35(44)31-20-28(21-38-34(31)37)29-22-39-42(2)23-29/h6-13,20-23,32-33H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,44)/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)
BDBM298822
PNG
(US10125118, Example 228)
Show SMILES Nc1ncc(cc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C1(CC1)N1CCN(CCO)CC1)-c1ccc(F)nc1
Show InChI InChI=1S/C38H43FN6O3/c39-35-13-10-29(23-41-35)30-22-32(36(40)42-24-30)37(47)43-33-2-1-3-34(33)48-25-26-4-6-27(7-5-26)28-8-11-31(12-9-28)38(14-15-38)45-18-16-44(17-19-45)20-21-46/h4-13,22-24,33-34,46H,1-3,14-21,25H2,(H2,40,42)(H,43,47)/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)
BDBM298823
PNG
(US10125118, Example 229)
Show SMILES CC(C)(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1
Show InChI InChI=1S/C38H45FN6O3/c1-38(2,45-18-16-44(17-19-45)20-21-46)31-13-10-28(11-14-31)27-8-6-26(7-9-27)25-48-34-5-3-4-33(34)43-37(47)32-22-30(24-42-36(32)40)29-12-15-35(39)41-23-29/h6-15,22-24,33-34,46H,3-5,16-21,25H2,1-2H3,(H2,40,42)(H,43,47)/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)
BDBM298826
PNG
(US10125118, Example 232)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(F)cnc2N)cc1
Show InChI InChI=1S/C31H38FN5O2/c1-21(37-16-14-36(2)15-17-37)23-10-12-25(13-11-23)24-8-6-22(7-9-24)20-39-29-5-3-4-28(29)35-31(38)27-18-26(32)19-34-30(27)33/h6-13,18-19,21,28-29H,3-5,14-17,20H2,1-2H3,(H2,33,34)(H,35,38)/t21?,28-,29-/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)
BDBM298832
PNG
(US10125118, Example 238)
Show SMILES CC(N1CCN(CCO)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccnc2F)cc1
Show InChI InChI=1S/C37H43FN6O3/c1-25(44-18-16-43(17-19-44)20-21-45)27-11-13-29(14-12-27)28-9-7-26(8-10-28)24-47-34-6-2-5-33(34)42-37(46)32-22-30(23-41-36(32)39)31-4-3-15-40-35(31)38/h3-4,7-15,22-23,25,33-34,45H,2,5-6,16-21,24H2,1H3,(H2,39,41)(H,42,46)/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)
BDBM298839
PNG
(US10125118, Example 245)
Show SMILES CN(C)CCOc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C32H38N6O3/c1-37(2)15-16-40-27-13-11-24(12-14-27)23-9-7-22(8-10-23)21-41-30-6-4-5-29(30)36-32(39)28-17-25(18-34-31(28)33)26-19-35-38(3)20-26/h7-14,17-20,29-30H,4-6,15-16,21H2,1-3H3,(H2,33,34)(H,36,39)/t29-,30-/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)
BDBM299044
PNG
(US10125118, Example 450)
Show SMILES CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2COC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C35H43N7O3/c1-35(2,42-15-13-40(3)14-16-42)29-11-9-26(10-12-29)25-7-5-24(6-8-25)21-45-32-23-44-22-31(32)39-34(43)30-17-27(18-37-33(30)36)28-19-38-41(4)20-28/h5-12,17-20,31-32H,13-16,21-23H2,1-4H3,(H2,36,37)(H,39,43)/t31-,32-/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)
BDBM299045
PNG
(US10125118, Example 451)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1COC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C34H41N7O4/c1-39-20-29(18-37-39)28-16-30(33(35)36-17-28)34(43)38-31-22-44-23-32(31)45-21-25-4-8-27(9-5-25)26-6-2-24(3-7-26)19-41-12-10-40(11-13-41)14-15-42/h2-9,16-18,20,31-32,42H,10-15,19,21-23H2,1H3,(H2,35,36)(H,38,43)/t31-,32-/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)
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)
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)
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)
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)
BDBM298990
PNG
(US10125118, Example 396)
Show SMILES CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cccnc2)ccc1C
Show InChI InChI=1S/C25H29N5O2/c1-3-18-9-17(7-6-16(18)2)15-32-23-14-28-13-22(23)30-25(31)21-10-20(12-29-24(21)26)19-5-4-8-27-11-19/h4-12,22-23,28H,3,13-15H2,1-2H3,(H2,26,29)(H,30,31)/t22-,23-/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)
BDBM298995
PNG
(US10125118, Example 401)
Show SMILES CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(NS(C)(=O)=O)cc2)ccc1C
Show InChI InChI=1S/C27H33N5O4S/c1-4-19-11-18(6-5-17(19)2)16-36-25-15-29-14-24(25)31-27(33)23-12-21(13-30-26(23)28)20-7-9-22(10-8-20)32-37(3,34)35/h5-13,24-25,29,32H,4,14-16H2,1-3H3,(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)
BDBM299006
PNG
(US10125118, Example 412)
Show SMILES CCc1cc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(c2)C2CCNCC2)ccc1C
Show InChI InChI=1S/C28H37N7O2/c1-3-20-10-19(5-4-18(20)2)17-37-26-15-31-14-25(26)34-28(36)24-11-21(12-32-27(24)29)22-13-33-35(16-22)23-6-8-30-9-7-23/h4-5,10-13,16,23,25-26,30-31H,3,6-9,14-15,17H2,1-2H3,(H2,29,32)(H,34,36)/t25-,26-/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)
BDBM299030
PNG
(US10125118, Example 436)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)-c2ccc(CO[C@H]3CNC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C34H39F3N8O2/c1-43-9-11-45(12-10-43)20-25-8-7-24(14-29(25)34(35,36)37)23-5-3-22(4-6-23)21-47-31-18-39-17-30(31)42-33(46)28-13-26(15-40-32(28)38)27-16-41-44(2)19-27/h3-8,13-16,19,30-31,39H,9-12,17-18,20-21H2,1-2H3,(H2,38,40)(H,42,46)/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)
BDBM298739
PNG
(US10125118, Example 145)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CCN)cc1
Show InChI InChI=1S/C30H34N6O2/c1-36-18-25(17-34-36)24-15-26(29(32)33-16-24)30(37)35-27-3-2-4-28(27)38-19-21-7-11-23(12-8-21)22-9-5-20(6-10-22)13-14-31/h5-12,15-18,27-28H,2-4,13-14,19,31H2,1H3,(H2,32,33)(H,35,37)/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)
BDBM298755
PNG
(US10125118, Example 161)
Show SMILES CN1CCN(CCc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C35H43N7O2/c1-40-16-18-42(19-17-40)15-14-25-6-10-27(11-7-25)28-12-8-26(9-13-28)24-44-33-5-3-4-32(33)39-35(43)31-20-29(21-37-34(31)36)30-22-38-41(2)23-30/h6-13,20-23,32-33H,3-5,14-19,24H2,1-2H3,(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)
BDBM298784
PNG
(US10125118, Example 190)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)C[C@@H](C)N1C
Show InChI InChI=1S/C36H45N7O2/c1-24-19-43(20-25(2)42(24)4)21-26-8-12-28(13-9-26)29-14-10-27(11-15-29)23-45-34-7-5-6-33(34)40-36(44)32-16-30(17-38-35(32)37)31-18-39-41(3)22-31/h8-18,22,24-25,33-34H,5-7,19-21,23H2,1-4H3,(H2,37,38)(H,40,44)/t24-,25+,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)
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)
BDBM298811
PNG
(US10125118, Example 217)
Show SMILES CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C36H45N7O2/c1-36(2,43-18-16-41(3)17-19-43)30-14-12-27(13-15-30)26-10-8-25(9-11-26)24-45-33-7-5-6-32(33)40-35(44)31-20-28(21-38-34(31)37)29-22-39-42(4)23-29/h8-15,20-23,32-33H,5-7,16-19,24H2,1-4H3,(H2,37,38)(H,40,44)/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)
BDBM298836
PNG
(US10125118, Example 242)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CC2CCN(CC(N)=O)CC2)cc1
Show InChI InChI=1S/C36H43N7O3/c1-42-21-30(20-40-42)29-18-31(35(38)39-19-29)36(45)41-32-3-2-4-33(32)46-23-26-7-11-28(12-8-26)27-9-5-24(6-10-27)17-25-13-15-43(16-14-25)22-34(37)44/h5-12,18-21,25,32-33H,2-4,13-17,22-23H2,1H3,(H2,37,44)(H2,38,39)(H,41,45)/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)
BDBM298841
PNG
(US10125118, Example 247)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C34H40N6O3/c1-39-16-14-29(15-17-39)43-28-12-10-25(11-13-28)24-8-6-23(7-9-24)22-42-32-5-3-4-31(32)38-34(41)30-18-26(19-36-33(30)35)27-20-37-40(2)21-27/h6-13,18-21,29,31-32H,3-5,14-17,22H2,1-2H3,(H2,35,36)(H,38,41)/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)
BDBM299010
PNG
(US10125118, Example 416)
Show SMILES CCc1cccc(CO[C@H]2CNC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)c1
Show InChI InChI=1S/C23H28N6O2/c1-3-15-5-4-6-16(7-15)14-31-21-12-25-11-20(21)28-23(30)19-8-17(9-26-22(19)24)18-10-27-29(2)13-18/h4-10,13,20-21,25H,3,11-12,14H2,1-2H3,(H2,24,26)(H,28,30)/t20-,21-/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)
BDBM299028
PNG
(US10125118, Example 434)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc(CO[C@H]3CNC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C33H40N8O2/c1-39-11-13-41(14-12-39)20-23-3-7-25(8-4-23)26-9-5-24(6-10-26)22-43-31-19-35-18-30(31)38-33(42)29-15-27(16-36-32(29)34)28-17-37-40(2)21-28/h3-10,15-17,21,30-31,35H,11-14,18-20,22H2,1-2H3,(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)
BDBM299029
PNG
(US10125118, Example 435)
Show SMILES CN1C[C@H](NC(=O)c2cc(cnc2N)-c2cnn(C)c2)[C@H](C1)OCc1ccc(cc1)-c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C34H42N8O2/c1-39-12-14-42(15-13-39)19-24-4-8-26(9-5-24)27-10-6-25(7-11-27)23-44-32-22-40(2)21-31(32)38-34(43)30-16-28(17-36-33(30)35)29-18-37-41(3)20-29/h4-11,16-18,20,31-32H,12-15,19,21-23H2,1-3H3,(H2,35,36)(H,38,43)/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)
BDBM299034
PNG
(US10125118, Example 440)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CNC[C@@H]1OCc1ccc(cc1)-c1ccc(cc1)C(C)(C)N1CCN(CCO)CC1
Show InChI InChI=1S/C36H46N8O3/c1-36(2,44-14-12-43(13-15-44)16-17-45)30-10-8-27(9-11-30)26-6-4-25(5-7-26)24-47-33-22-38-21-32(33)41-35(46)31-18-28(19-39-34(31)37)29-20-40-42(3)23-29/h4-11,18-20,23,32-33,38,45H,12-17,21-22,24H2,1-3H3,(H2,37,39)(H,41,46)/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)
BDBM298741
PNG
(US10125118, Example 147)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C31H36N8O2/c1-38-19-25(18-36-38)24-15-26(30(32)35-17-24)31(40)37-27-3-2-4-28(27)41-20-21-5-7-22(8-6-21)23-9-10-29(34-16-23)39-13-11-33-12-14-39/h5-10,15-19,27-28,33H,2-4,11-14,20H2,1H3,(H2,32,35)(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)
BDBM298768
PNG
(US10125118, Example 174)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C33H38N6O3/c1-38-21-28(19-36-38)27-17-29(32(34)35-18-27)33(40)37-30-3-2-4-31(30)42-22-24-7-11-26(12-8-24)25-9-5-23(6-10-25)20-39-13-15-41-16-14-39/h5-12,17-19,21,30-31H,2-4,13-16,20,22H2,1H3,(H2,34,35)(H,37,40)/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)
BDBM298789
PNG
(US10125118, Example 195)
Show SMILES CN1CCN(Cc2ccc(cc2F)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C34H40FN7O2/c1-40-12-14-42(15-13-40)21-26-11-10-25(17-30(26)35)24-8-6-23(7-9-24)22-44-32-5-3-4-31(32)39-34(43)29-16-27(18-37-33(29)36)28-19-38-41(2)20-28/h6-11,16-20,31-32H,3-5,12-15,21-22H2,1-2H3,(H2,36,37)(H,39,43)/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)
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)
BDBM298812
PNG
(US10125118, Example 218)
Show SMILES C[C@@H](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+/m1/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)
BDBM298816
PNG
(US10125118, Example 222 | US10125118, Example 223)
Show SMILES C[C@H](N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1
Show InChI InChI=1S/C36H41FN6O2/c1-24(43-18-16-42(2)17-19-43)26-10-12-28(13-11-26)27-8-6-25(7-9-27)23-45-33-5-3-4-32(33)41-36(44)31-20-30(22-40-35(31)38)29-14-15-34(37)39-21-29/h6-15,20-22,24,32-33H,3-5,16-19,23H2,1-2H3,(H2,38,40)(H,41,44)/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)
BDBM298819
PNG
(US10125118, Example 225)
Show SMILES CN1CCN(CC1)C(C)(C)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2ccc(F)nc2)cc1
Show InChI InChI=1S/C37H43FN6O2/c1-37(2,44-19-17-43(3)18-20-44)30-14-11-27(12-15-30)26-9-7-25(8-10-26)24-46-33-6-4-5-32(33)42-36(45)31-21-29(23-41-35(31)39)28-13-16-34(38)40-22-28/h7-16,21-23,32-33H,4-6,17-20,24H2,1-3H3,(H2,39,41)(H,42,45)/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)
BDBM298829
PNG
(US10125118, Example 235)
Show SMILES CC(N1CCN(C)CC1)c1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cccnc2N)cc1
Show InChI InChI=1S/C31H39N5O2/c1-22(36-19-17-35(2)18-20-36)24-12-14-26(15-13-24)25-10-8-23(9-11-25)21-38-29-7-3-6-28(29)34-31(37)27-5-4-16-33-30(27)32/h4-5,8-16,22,28-29H,3,6-7,17-21H2,1-2H3,(H2,32,33)(H,34,37)/t22?,28-,29-/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)
BDBM298833
PNG
(US10125118, Example 239)
Show SMILES CN1CCC(Cc2ccc(cc2)-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(cnc3N)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C35H42N6O2/c1-40-16-14-25(15-17-40)18-24-6-10-27(11-7-24)28-12-8-26(9-13-28)23-43-33-5-3-4-32(33)39-35(42)31-19-29(20-37-34(31)36)30-21-38-41(2)22-30/h6-13,19-22,25,32-33H,3-5,14-18,23H2,1-2H3,(H2,36,37)(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)
BDBM298834
PNG
(US10125118, Example 240)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccc(cc1)-c1ccc(CC2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C36H44N6O3/c1-41-23-31(22-39-41)30-20-32(35(37)38-21-30)36(44)40-33-3-2-4-34(33)45-24-27-7-11-29(12-8-27)28-9-5-25(6-10-28)19-26-13-15-42(16-14-26)17-18-43/h5-12,20-23,26,33-34,43H,2-4,13-19,24H2,1H3,(H2,37,38)(H,40,44)/t33-,34-/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)
BDBM298840
PNG
(US10125118, Example 246)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccc(CO[C@H]2CCC[C@@H]2NC(=O)c2cc(cnc2N)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C33H40N6O3/c1-38(2)16-5-17-41-28-14-12-25(13-15-28)24-10-8-23(9-11-24)22-42-31-7-4-6-30(31)37-33(40)29-18-26(19-35-32(29)34)27-20-36-39(3)21-27/h8-15,18-21,30-31H,4-7,16-17,22H2,1-3H3,(H2,34,35)(H,37,40)/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
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* indicates data uncertainty>20%