| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031921
BDB031921
|
US20230365537, Example 256
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)N5CC6CCC(C5)O6)cc4OC)n[nH]c3c1)C(=O)N2
|
C30H30N6O6S 602.673000 |
TYJOLBATVWRDJW-ZPUNFBRDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636127; PubChem:CID166128544
|
Local ready
Direct docking supported
|
|
E3L031922
BDB031922
|
BDBM636128
CCP(=O)(CC)c1ccc(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c(OC)n1
|
C28H30N5O4P 531.553000 |
AVIIBTKEOSUCKG-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636128; PubChem:CID166129045
|
Local ready
Direct docking supported
|
|
E3L031923
BDB031923
|
BDBM636129
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)C5CC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C27H25N5O5S 531.594000 |
FJKSYFWQWKRPJT-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636129; PubChem:CID166129129
|
Local ready
Direct docking supported
|
|
E3L031924
BDB031924
|
BDBM636130
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)C5CCOCC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C29H29N5O6S 575.647000 |
VHIUYJBYHQFWHD-ZTOMLWHTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636130; PubChem:CID166129550
|
Local ready
Direct docking supported
|
|
E3L031925
BDB031925
|
BDBM636131
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C#N)nc4OC)n[nH]c3c1)C(=O)N2
|
C25H20N6O3 452.474000 |
UNWWHCWAKQRPFD-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636131; PubChem:CID166129117
|
Local ready
Direct docking supported
|
|
E3L031926
BDB031926
|
BDBM636132
CCP(=O)(CC)c1ccc(OC)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c1
|
C29H31N4O4P 530.565000 |
JYCYYFLWWXBTEH-ZTOMLWHTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636132; PubChem:CID166128841
|
Local ready
Direct docking supported
|
|
E3L031927
BDB031927
|
BDBM636133
CCS(=O)(=O)c1cc(OC)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)cn1
|
C26H25N5O5S 519.583000 |
CKCGBVCGRTYHGB-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636133; PubChem:CID166128488
|
Local ready
Direct docking supported
|
|
E3L031928
BDB031928
|
BDBM636134
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(C(=O)N5CCC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C28H26N6O4 510.554000 |
SRKLAYWRZKLNHC-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636134; PubChem:CID166128800
|
Local ready
Direct docking supported
|
|
E3L031929
BDB031929
|
BDBM636135
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(C(=O)N5CCOCC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C29H28N6O5 540.580000 |
NEYBSPWSNSHKHW-LGGPFLRQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636135; PubChem:CID166128439
|
Local ready
Direct docking supported
|
|
E3L031930
BDB031930
|
BDBM636136
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc5c(cc4OC)C(=O)N(C)C5)n[nH]c3c1)C(=O)N2
|
C28H25N5O4 495.539000 |
DGRIWZAIEXXHOW-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636136; PubChem:CID166129065
|
Local ready
Direct docking supported
|
|
E3L031931
BDB031931
|
BDBM636137
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc5c(c4OC)CN(C)C5=O)n[nH]c3c1)C(=O)N2
|
C28H25N5O4 495.539000 |
ZRBJCFDMMPLPCO-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636137; PubChem:CID166128878
|
Local ready
Direct docking supported
|
|
E3L031932
BDB031932
|
BDBM636138
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)N5CCCO5)cc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O6S 562.608000 |
KMNQWCTYNHJINU-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636138; PubChem:CID166128895
|
Local ready
Direct docking supported
|
|
E3L031933
BDB031933
|
BDBM636139
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)N5CCC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O5S 546.609000 |
QCHJTTRZNFGGKY-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636139; PubChem:CID166129423
|
Local ready
Direct docking supported
|
|
E3L031934
BDB031934
|
BDBM636140
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)NC5(C)COC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C28H28N6O6S 576.635000 |
CODJRIKNYSCBSA-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636140; PubChem:CID166128783
|
Local ready
Direct docking supported
|
|
E3L031935
BDB031935
|
BDBM636141
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)N(C)C5(C)COC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C29H30N6O6S 590.662000 |
IYBUABKADRJAPB-LGGPFLRQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636141; PubChem:CID166129445
|
Local ready
Direct docking supported
|
|
E3L031936
BDB031936
|
BDBM636142
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(C)O)cnc4OC)n[nH]c3c1)C(=O)N2
|
C26H25N5O4 471.517000 |
CWBBUJOCUWSFJC-MYUDOIGHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636142; PubChem:CID166128651
|
Local ready
Direct docking supported
|
|
E3L031937
BDB031937
|
BDBM636143
CCOc1cc(S(C)(=O)=O)ccc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C27H26N4O5S 518.595000 |
MBNSFOGJHWUIOY-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636143; PubChem:CID166129358
|
Local ready
Direct docking supported
|
|
E3L031938
BDB031938
|
BDBM636144
CCOc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C30H33N7O5S 603.705000 |
AEXPDDPJTFDMKK-JHOBJCJYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636144; PubChem:CID166129386
|
Local ready
Direct docking supported
|
|
E3L031939
BDB031939
|
BDBM636145
CCOc1cc(S(=O)(=O)CC)cnc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C27H27N5O5S 533.610000 |
ZAYNEDGQOVESHF-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636145; PubChem:CID166128708
|
Local ready
Direct docking supported
|
|
E3L031940
BDB031940
|
BDBM636146
CCOc1cc(S(=O)(=O)NC)cnc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C26H26N6O5S 534.598000 |
PQNWGLHBIINSDV-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636146; PubChem:CID166129399
|
Local ready
Direct docking supported
|