| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017461
BDB017461
|
BDBM408728
CCc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H31N5O 477.612000 |
DAISAOXZNGDKBB-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408728; PubChem:CID67954774
|
Local ready
Direct docking supported
|
|
E3L017462
BDB017462
|
BDBM408731
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C#Cc4ccc(CN5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H31N5O2 517.633000 |
JDGANQKXCPYAQB-UCGGBYDDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408731; PubChem:CID58486251
|
Local ready
Direct docking supported
|
|
E3L017463
BDB017463
|
BDBM408735
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4cccc(C(=O)N5CCN(C)CC5)c4)n[nH]c3c1)C(=O)N2
|
C30H29N5O3 507.594000 |
QNONTSBMPYWZDM-NGQVCNFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408735; PubChem:CID67954443
|
Local ready
Direct docking supported
|
|
E3L017464
BDB017464
|
US10358436, Example A155
CN1CCN(Cc2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1
|
C29H29N5O 463.585000 |
HXJXJJYLJDNAHS-OUTSHDOLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408741; PubChem:CID58486336
|
Local ready
Direct docking supported
|
|
E3L017465
BDB017465
|
BDBM408743
CN1CCN(c2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cn2)CC1
|
C29H28N6O 476.584000 |
DMLLOBHOZFRIEK-HVONBJNPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408743; PubChem:CID67978705
|
Local ready
Direct docking supported
|
|
E3L017466
BDB017466
|
BDBM408748
CN(C)Cc1cccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)c1
|
C28H26N4O 434.543000 |
IXJRJUNTQBICKN-IWWUPDSPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408748; PubChem:CID58486307
|
Local ready
Direct docking supported
|
|
E3L017467
BDB017467
|
BDBM408751
NC(=O)CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(/C=C/c4ccc(CN5CCCCC5)cc4)n[nH]c3c2)c2ccccc21
|
C33H33N5O2 531.660000 |
WAISSGXUJBEROJ-AAUNRODRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408751; PubChem:CID58486222
|
Local ready
Direct docking supported
|
|
E3L017468
BDB017468
|
BDBM408752
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C27H26N4O2 438.531000 |
BQUCWYMULDRVNP-CUNXSJBXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408752; PubChem:CID58486344
|
Local ready
Direct docking supported
|
|
E3L017469
BDB017469
|
BDBM408754
COc1cc2c(cc1OC)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C30H30N4O3 494.595000 |
RBCCNUUVODZKTP-MJGUXVLZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408754; PubChem:CID58486350
|
Local ready
Direct docking supported
|
|
E3L017470
BDB017470
|
Kallikrein-IN-1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(C#N)ccc(OC)c1F
|
C28H26FN5O4 515.545000 |
SPXOTFDBWDBJRN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM408768; PubChem:CID121365006
|
Local ready
Direct docking supported
|
|
E3L017471
BDB017471
|
BDBM408771
CC(C)CCN1C(=O)[C@@]2(C[C@H]2c2ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc21
|
C33H36N4O 504.678000 |
QFYLZSILEZGGNB-PSYXFZGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408771; PubChem:CID58486254
|
Local ready
Direct docking supported
|
|
E3L017472
BDB017472
|
BDBM408774
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(C(=O)N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H31N5O3 533.632000 |
IQXPBGFVXVIFBB-QMFWCSSFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408774; PubChem:CID58486249
|
Local ready
Direct docking supported
|
|
E3L017473
BDB017473
|
BDBM408776
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4csc(CN(C)C)c4)n[nH]c3c1)C(=O)N2
|
C27H26N4O2S 470.598000 |
NKHXMDUYJLKPQL-UTYIQFHPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408776; PubChem:CID58486313
|
Local ready
Direct docking supported
|
|
E3L017474
BDB017474
|
BDBM408777
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(N5CCNCC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H29N5O2 491.595000 |
GUXGICSDXTZJBL-DSWJXZEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408777; PubChem:CID58486337
|
Local ready
Direct docking supported
|
|
E3L017475
BDB017475
|
BDBM408785
CCN1Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(OC)cc56)ccc34)cc2C1
|
C30H28N4O2 476.580000 |
CFUXRJMJLISHJG-BYPVKBEESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408785; PubChem:CID58486316
|
Local ready
Direct docking supported
|
|
E3L017476
BDB017476
|
BDBM408791
Cc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H30N4O2 490.607000 |
AHXHWEURVLCQAX-PVKVMSQPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408791; PubChem:CID67978718
|
Local ready
Direct docking supported
|
|
E3L017477
BDB017477
|
BDBM408800
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CCN4CCCOC4)cc3)n[nH]c2c1
|
C31H30N4O2 490.607000 |
PCCFPIPMCFEBOP-DAGBDIRBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408800; PubChem:CID139331867
|
Local ready
Direct docking supported
|
|
E3L017478
BDB017478
|
BDBM408802
O=C1Nc2ccc(F)cc2[C@]12CC2c1ccc2c(/C=C/c3ccc(N4CCOCC4)nc3)n[nH]c2c1
|
C28H24FN5O2 481.531000 |
ZMSZEVLQOKUQQH-UKMYJQGVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408802; PubChem:CID67979017
|
Local ready
Direct docking supported
|
|
E3L017479
BDB017479
|
BDBM408808
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(N5CCOCC5)nc4)n[nH]c3c1)C(=O)N2
|
C29H27N5O3 493.567000 |
GCSDIZGUWIIJKV-RYBYWIIWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM408808; PubChem:CID58486213
|
Local ready
Direct docking supported
|
|
E3L017480
BDB017480
|
BDBM412136
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12
|
C18H13ClF2N6O 402.792000 |
NRSGWEVTVGZDFC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM412136; PubChem:CID11524200
|
Local ready
Direct docking supported
|