| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L026561
BDB026561
|
US11384066, Example 67
Cc1cc(Nc2cc(C#N)c(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)[nH]n1
|
C25H25ClF2N6O2 514.964000 |
ZMAJFSYTHLMBBT-SGANQWHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560655; PubChem:CID163303897
|
Local ready
Direct docking supported
|
|
E3L026562
BDB026562
|
US11384066, Example 69
CC(=O)c1cc(Nc2cc(C)[nH]n2)nc(CC2(C(=O)O)CCN(Cc3cccc(Cl)c3F)CC2)c1F
|
C25H26ClF2N5O3 517.964000 |
GAOVKDOWRXEXQC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560656; PubChem:CID164812314
|
Local ready
Direct docking supported
|
|
E3L026563
BDB026563
|
US11384066, Example 72
Cc1cc(Nc2cc(Cl)c(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H25Cl2F2N5O2 524.399000 |
KYEHLWMHQXZVMF-JBEBIEQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560657; PubChem:CID163303854
|
Local ready
Direct docking supported
|
|
E3L026564
BDB026564
|
US11384066, Example 73
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)cc(Cl)c2F)n[nH]1
|
C24H25Cl2F2N5O2 524.399000 |
FMSSVKVRLRCICW-JBEBIEQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560658; PubChem:CID164812531
|
Local ready
Direct docking supported
|
|
E3L026565
BDB026565
|
US11384066, Example 74
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)c(F)c(Cl)c2F)n[nH]1
|
C24H24Cl2F3N5O2 542.389000 |
VUWOJKAAHLKNCX-YEBMWUKDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560659; PubChem:CID164812269
|
Local ready
Direct docking supported
|
|
E3L026566
BDB026566
|
BDBM560660
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)cc(C)c2F)n[nH]1
|
C25H28ClF2N5O2 503.981000 |
CEONSWRDFKMFNM-PUAOIOHZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560660; PubChem:CID163303906
|
Local ready
Direct docking supported
|
|
E3L026567
BDB026567
|
US11384066, Example 79
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)CC3)cc(C)c2F)n[nH]1
|
C24H26ClF2N5O2 489.954000 |
XXKRAMYAWPTHKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560661; PubChem:CID164812616
|
Local ready
Direct docking supported
|
|
E3L026568
BDB026568
|
US11384066, Example 81
Cc1cc(Nc2cc(S(C)(=O)=O)c(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C25H28ClF2N5O4S 568.046000 |
FHRIIKWRIVKZRG-SGANQWHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560662; PubChem:CID163303818
|
Local ready
Direct docking supported
|
|
E3L026569
BDB026569
|
US11384066, Example 84
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)c(F)c(Cl)c2Cl)n[nH]1
|
C24H24Cl3F2N5O2 558.844000 |
MRGKXWYCHYYEOL-YEBMWUKDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560663; PubChem:CID163303772
|
Local ready
Direct docking supported
|
|
E3L026570
BDB026570
|
US11384066, Example 90
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)cc(C#N)c2F)n[nH]1
|
C25H25ClF2N6O2 514.964000 |
NXTQOFQOBODYSP-SGANQWHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560664; PubChem:CID163303948
|
Local ready
Direct docking supported
|
|
E3L026571
BDB026571
|
US11384066, Example 91
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)c(F)cc2F)n[nH]1
|
C24H25ClF3N5O2 507.944000 |
BDDMFFMPRZTZGH-JBEBIEQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560665; PubChem:CID163303871
|
Local ready
Direct docking supported
|
|
E3L026572
BDB026572
|
US11384066, Example 92
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)CC3)c(F)cc2F)n[nH]1
|
C23H23ClF3N5O2 493.917000 |
AKXFWWNVGZNSQZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560666; PubChem:CID164812324
|
Local ready
Direct docking supported
|
|
E3L026573
BDB026573
|
US11384066, Example 102
Cc1[nH]nc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)c1C
|
C25H28ClF2N5O2 503.981000 |
IILGZBCIXYOQFH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560667; PubChem:CID164812554
|
Local ready
Direct docking supported
|
|
E3L026574
BDB026574
|
BDBM560668
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H26ClF2N5O2 489.954000 |
YQQZZYYQTCPEAS-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560668; PubChem:CID121333423
|
Local ready
Direct docking supported
|
|
E3L026575
BDB026575
|
BDBM560698
CNc1c(-c2cn3c(n2)sc2cc(OCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)ccc23)nc2cc(C#N)ccn12
|
C44H46N10O6S2 875.050000 |
WZZJEGBDLCKYTA-TWOWGBDESA-N | P40337, P62877, Q13617, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM560698
|
Local ready
Direct docking supported
|
|
E3L026576
BDB026576
|
BDBM560699
CNc1c(-c2cn3c(n2)sc2cc(OCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)ccc23)nc2cc(C#N)ccn12
|
C46H50N10O7S2 919.103000 |
YZWLTUBQFWYKQS-XIXBXZHNSA-N | P40337, P62877, Q13617, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM560699
|
Local ready
Direct docking supported
|
|
E3L026577
BDB026577
|
BDBM560700
CNc1c(-c2cn3c(n2)sc2cc(OCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)ccc23)nc2cc(C#N)ccn12
|
C48H54N10O8S2 963.156000 |
LBSRCGOICVEQQW-HZRGMGJNSA-N | P40337, P62877, Q13617, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM560700
|
Local ready
Direct docking supported
|
|
E3L026578
BDB026578
|
BDBM560701
Cc1ncsc1-c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCOCCOCCOCCOc2ccc(C(=O)Nc3ccc4oc(-c5ccc(=O)n(C)n5)nc4c3)nc2)c1
|
C55H59N9O12S 1070.195000 |
UPZMKHRKAMQHKG-LQIXZJNWSA-N | P40337, P62877, Q13617, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM560701
|
Local ready
Direct docking supported
|
|
E3L026579
BDB026579
|
BDBM560702
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(OCCOCCOCCOCCOc2ccc(C(=O)Nc3ccc4oc(-c5ccc(=O)n(C)n5)nc4c3)nc2)c1
|
C55H59N9O12S 1070.195000 |
UPZMKHRKAMQHKG-WZKSLXNMSA-N | P40337, P62877, Q13617, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM560702
|
Local ready
Direct docking supported
|
|
E3L026580
BDB026580
|
BDBM560703
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOc2ccc(C(=O)Nc3ccc4oc(-c5ccc(=O)n(C)n5)nc4c3)nc2)C(C)(C)C)cc1
|
C45H49N9O9S 892.008000 |
AWOHWBFWBCPVMC-LMKVZTAHSA-N | P40337, P62877, Q13617, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM560703
|
Local ready
Direct docking supported
|