| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064981
BDB064981
|
BDBM50644670
CC(C)[C@H]1CN(C)CCN1Cc1cc(C(=O)Nc2cccc(C3([C@@H](F)c4nncn4C)CC(F)(F)C3)c2)nc(C2CC2)c1
|
C32H40F3N7O 595.714000 |
ITOYFVXIFVKLPE-IZLXSDGUSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644670
|
Local ready
Direct docking supported
|
|
E3L064982
BDB064982
|
BDBM50644671
Cn1cnnc1-c1cc(C#N)ccc1-c1cc(C2CC2)nc(N2Cc3c(cc(CNCC4(F)CCC4)cc3C(F)(F)F)C2=O)c1
|
C33H29F4N7O 615.635000 |
SBOJRGLZMSPLHD-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644671
|
Local ready
Direct docking supported
|
|
E3L064983
BDB064983
|
BDBM50644672
Cn1cnnc1[C@]1(c2cccc(N3C(=O)c4cc(CNC5(C)CCC5)cc5cccc3c45)c2)C[C@H](C)C1
|
C31H33N5O 491.639000 |
VARSHIIOTLRGIA-VYFJIZOZSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644672
|
Local ready
Direct docking supported
|
|
E3L064984
BDB064984
|
BDBM50644673
Cn1cnnc1C(F)(F)[C@](C)(F)c1cccc(NC(=O)N2CC3(CNC3)Oc3cccnc32)c1
|
C22H22F3N7O2 473.459000 |
IVBFKTPMUQKRAZ-HXUWFJFHSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50644673; PubChem:CID155597005
|
Local ready
Direct docking supported
|
|
E3L064985
BDB064985
|
BDBM50644674
C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3[nH]c(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)nc3c2)C1
|
C29H33F3N6 522.619000 |
ZRXOEGMBVWGSAQ-RXEHIIAQSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644674
|
Local ready
Direct docking supported
|
|
E3L064986
BDB064986
|
BDBM50644675
C[C@H](Cc1nncn1C)c1cccc(-c2n[nH]c3c(CN4CC[C@H](F)C4)cc(C(F)(F)F)nc23)c1
|
C24H25F4N7 487.505000 |
GOWDNSPFZXUODG-KDOFPFPSSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50644675; PubChem:CID155597157
|
Local ready
Direct docking supported
|
|
E3L064987
BDB064987
|
BDBM50644676
Cn1cnnc1[C@]1(c2cccc(-c3cnc4c(C(F)(F)F)cc(CN5CC6CC(C)(C6)C5)cn4c3=O)c2)C[C@H](C)C1
|
C31H33F3N6O 562.640000 |
RRDGJMSJUBUGNE-QRRSRKGFSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644676
|
Local ready
Direct docking supported
|
|
E3L064988
BDB064988
|
BDBM50644677
Cc1cc(CNC2(C)CCC2)cc2c(=O)c(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)coc12
|
C30H34N4O2 482.628000 |
KTQXWMYOQVQUSK-ZOXYEEGJSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644677
|
Local ready
Direct docking supported
|
|
E3L064989
BDB064989
|
BDBM50644678
Cn1cnnc1[C@]1(c2cccc(NC(=O)c3cc(CN4CCC[C@H](C(F)F)C4)cn4ccnc34)c2)C[C@H](CC#N)C1
|
C30H32F2N8O 558.637000 |
CQJNVVBDDJGGGZ-LPYGGDLBSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644678
|
Local ready
Direct docking supported
|
|
E3L064990
BDB064990
|
BDBM50644679
CC(c1cc(C(=O)Nc2cccc([C@]3(c4nncn4C)C[C@@H](CC#N)C3)c2)nc2cc[nH]c12)N1CCC[C@H](C)C1
|
C31H36N8O 536.684000 |
CWJSJKUVYLZNKV-FBTZJGKYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50644679
|
Local ready
Direct docking supported
|
|
E3L064991
BDB064991
|
BDBM50644680
CO[C@@]1(C(=O)N/C=C/c2ccc(O)cc2)O[C@](O)(C(=O)N/C=C/c2ccc(O)cc2)[C@@H](c2ccc(O)c(O)c2)[C@@H]1c1ccc(O)c(O)c1
|
C35H32N2O11 656.644000 |
DELAPULINUMFDP-SMYIZNIWSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50644680; PubChem:CID177383260
|
Local ready
Direct docking supported
|
|
E3L064992
BDB064992
|
BDBM50644681
O=C(N/C=C/c1ccc(O)cc1)c1c(-c2ccc(O)c(O)c2)c(-c2ccc(O)c(O)c2)c(C(=O)N/C=C/c2ccc(O)cc2)n1CCc1ccc(O)cc1
|
C42H35N3O9 725.754000 |
YJMVQWRZNYQEJK-PHEFWILJSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM50644681; PubChem:CID177383261
|
Local ready
Direct docking supported
|
|
E3L064993
BDB064993
|
N-(1,3-benzothiazol-5-yl)-3-pyridin-4-ylbenzamide
O=C(Nc1ccc2scnc2c1)c1cccc(-c2ccncc2)c1
|
C19H13N3OS 331.400000 |
NJENVQDBUFJYRZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644682; PubChem:CID177383262
|
Local ready
Direct docking supported
|
|
E3L064994
BDB064994
|
N-[(3-methoxyphenyl)methyl]-3-pyridin-4-ylbenzamide
COc1cccc(CNC(=O)c2cccc(-c3ccncc3)c2)c1
|
C20H18N2O2 318.376000 |
CCYVUMXIKSUOBH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644683; PubChem:CID177383263
|
Local ready
Direct docking supported
|
|
E3L064995
BDB064995
|
N-[(3,5-difluorophenyl)methyl]-3-pyridin-4-ylbenzamide
O=C(NCc1cc(F)cc(F)c1)c1cccc(-c2ccncc2)c1
|
C19H14F2N2O 324.330000 |
HVRRCGODGWSXOX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644684; PubChem:CID177383264
|
Local ready
Direct docking supported
|
|
E3L064996
BDB064996
|
AurkA allosteric-IN-1
O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccncc2)c1
|
C20H16N2O3 332.359000 |
XRGXDUCTNDYOPY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644685; PubChem:CID171364366
|
Local ready
Direct docking supported
|
|
E3L064997
BDB064997
|
2-(3-Bromophenyl)-8-Fluoroquinoline-4-Carboxylic Acid
O=C(O)c1cc(-c2cccc(Br)c2)nc2c(F)cccc12
|
C16H9BrFNO2 346.155000 |
AONAJNHHHRKZDU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644686; PubChem:CID80043125
|
Local ready
Direct docking supported
|
|
E3L064998
BDB064998
|
BDBM50644687
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1
|
C28H23F2N3O2 471.507000 |
PXHCHIKOQWHYOY-BCHFMIIMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644687; PubChem:CID1024362
|
Local ready
Direct docking supported
|
|
E3L064999
BDB064999
|
BDBM50644688
COc1ccc(CNC(=O)C(C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1
|
C29H23N3O4 477.520000 |
YGFLOUZTPCPXBJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644688; PubChem:CID16407265
|
Local ready
Direct docking supported
|
|
E3L065000
BDB065000
|
BDBM50644689
CC(Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCc1ccc2c(c1)OCO2
|
C29H21N3O5 491.503000 |
DUVFAELAGKYFPI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50644689; PubChem:CID16407559
|
Local ready
Direct docking supported
|