| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031801
BDB031801
|
BDBM636003
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3cc(F)ccc34)ccc12
|
C23H19FN6O2 430.443000 |
QAHQDQHWMQGZCM-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636003; PubChem:CID166128460
|
Local ready
Direct docking supported
|
|
E3L031802
BDB031802
|
BDBM636004
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CC6(COC6)C5)c4Cl)n[nH]c3c1)C(=O)N2
|
C27H24ClN7O3 529.988000 |
MAUAORFSSOOYOT-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636004; PubChem:CID166128559
|
Local ready
Direct docking supported
|
|
E3L031803
BDB031803
|
BDBM636005
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(F)cc34)ccc12
|
C23H19FN6O2 430.443000 |
FNLDEFMOSGPZBB-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636005; PubChem:CID166129539
|
Local ready
Direct docking supported
|
|
E3L031804
BDB031804
|
BDBM636006
CCOc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C25H24N6O3 456.506000 |
ZQNXSWYJWVWOFB-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636006; PubChem:CID166128864
|
Local ready
Direct docking supported
|
|
E3L031805
BDB031805
|
BDBM636007
Cc1ncc(OC(F)F)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(F)cc45)ccc23)n1
|
C23H17F3N6O2 466.423000 |
BYEXQOSEDLPATP-WNSKOXEYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636007; PubChem:CID166128573
|
Local ready
Direct docking supported
|
|
E3L031806
BDB031806
|
BDBM636008
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4OC(C)C)n[nH]c3c1)C(=O)N2
|
C26H26N6O3 470.533000 |
CFUWUVOZPYKQON-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636008; PubChem:CID166128478
|
Local ready
Direct docking supported
|
|
E3L031807
BDB031807
|
BDBM636009
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(C(F)(F)F)cc34)ccc12
|
C24H19F3N6O2 480.450000 |
PBSZCEICSCDTLR-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636009; PubChem:CID166129296
|
Local ready
Direct docking supported
|
|
E3L031808
BDB031808
|
BDBM636010
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC(F)(F)F)cc34)ccc12
|
C24H19F3N6O3 496.449000 |
GPIAZIBOIDFMKV-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636010; PubChem:CID166128777
|
Local ready
Direct docking supported
|
|
E3L031809
BDB031809
|
BDBM636011
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@]34C(=O)Nc3ccc(OC(F)(F)F)cc34)ccc12
|
C24H19F3N6O3 496.449000 |
GPIAZIBOIDFMKV-QMHKHESXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636011; PubChem:CID166128538
|
Local ready
Direct docking supported
|
|
E3L031810
BDB031810
|
BDBM636012
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4C4CC4)n[nH]c3c1)C(=O)N2
|
C26H24N6O2 452.518000 |
DKTMMJSVEOEETH-FNZWTVRRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636012; PubChem:CID166129144
|
Local ready
Direct docking supported
|
|
E3L031811
BDB031811
|
BDBM636013
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5COC5)ncc4OC(F)F)n[nH]c3c1)C(=O)N2
|
C26H22F2N6O4 520.496000 |
ZSAZWGOCTVUYEJ-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636013; PubChem:CID166129140
|
Local ready
Direct docking supported
|
|
E3L031812
BDB031812
|
BDBM636014
COc1cnc(C)nc1Nc1n[nH]c2c(F)c([C@@H]3C[C@@]34C(=O)Nc3ccc(F)cc34)ccc12
|
C23H18F2N6O2 448.433000 |
AVAVKQHLKBUJPO-WNSKOXEYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636014; PubChem:CID166129040
|
Local ready
Direct docking supported
|
|
E3L031813
BDB031813
|
BDBM636015
Cc1ncc(OC(F)F)c(Nc2n[nH]c3c(F)c([C@@H]4C[C@@]45C(=O)Nc4ccc(F)cc45)ccc23)n1
|
C23H16F4N6O2 484.413000 |
OSZYQQFLZMXEML-PSLXWICFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636015; PubChem:CID166128669
|
Local ready
Direct docking supported
|
|
E3L031814
BDB031814
|
BDBM636016
COc1ccc2c(c1)[C@]1(C[C@H]1c1cc3[nH]nc(Nc4nc(C)ncc4OC)c3cc1F)C(=O)N2
|
C24H21FN6O3 460.469000 |
SPVMVDXYFVXTKJ-FYSMJZIKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636016; PubChem:CID166129467
|
Local ready
Direct docking supported
|
|
E3L031815
BDB031815
|
BDBM636017
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)nnc4OC)n[nH]c3c1)C(=O)N2
|
C24H22N6O3 442.479000 |
PRBYYJGTZNWCJP-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636017; PubChem:CID166128775
|
Local ready
Direct docking supported
|
|
E3L031816
BDB031816
|
BDBM636018
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4OCC4CC4)n[nH]c3c1)C(=O)N2
|
C27H26N6O3 482.544000 |
CYDOSMXHENGZRF-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636018; PubChem:CID166129269
|
Local ready
Direct docking supported
|
|
E3L031817
BDB031817
|
BDBM636019
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4OCC(F)F)n[nH]c3c1)C(=O)N2
|
C25H22F2N6O3 492.486000 |
RRDWLKSASIHLGF-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636019; PubChem:CID166129048
|
Local ready
Direct docking supported
|
|
E3L031818
BDB031818
|
BDBM636020
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)ccc4OC)n[nH]c3c1)C(=O)N2
|
C26H24N4O3 440.503000 |
OUWSMQIHVCPTSM-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636020; PubChem:CID166128683
|
Local ready
Direct docking supported
|
|
E3L031819
BDB031819
|
BDBM636021
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4OCC(F)(F)F)n[nH]c3c1)C(=O)N2
|
C25H21F3N6O3 510.476000 |
KNHSRLIBGQOTNN-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636021; PubChem:CID166129268
|
Local ready
Direct docking supported
|
|
E3L031820
BDB031820
|
BDBM636022
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C)nc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O3 441.491000 |
FUAKDKNTOOGDRY-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636022; PubChem:CID166129454
|
Local ready
Direct docking supported
|