| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055101
BDB055101
|
BDBM50401432
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cnn(C)c5)[nH]c34)CC2)no1
|
C19H21ClN8O 412.885000 |
FSKWYNFSIPORNW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401432; PubChem:CID71454281
|
Local ready
Direct docking supported
|
|
E3L055102
BDB055102
|
BDBM50401433
CCn1cc(-c2nc3ncc(Cl)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cn1
|
C20H23ClN8O 426.912000 |
YFCKHDARMWUHOO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401433; PubChem:CID71463200
|
Local ready
Direct docking supported
|
|
E3L055103
BDB055103
|
BDBM50401434
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ncon4)CC3)c2[nH]1
|
C18H20ClN9O 413.873000 |
MGSYURQJRSJRFB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401434; PubChem:CID71454277
|
Local ready
Direct docking supported
|
|
E3L055104
BDB055104
|
BDBM50401435
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cnn(C(C)C)c5)[nH]c34)CC2)no1
|
C21H25ClN8O 440.939000 |
JXPNVVDVNJDBQD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401435; PubChem:CID71456038
|
Local ready
Direct docking supported
|
|
E3L055105
BDB055105
|
BDBM50401436
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(N6CCN[C@@H](C)C6)cc5)[nH]c34)CC2)no1
|
C26H31ClN8O 507.042000 |
PJQQBUXHXONVAU-KRWDZBQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401436; PubChem:CID71455743
|
Local ready
Direct docking supported
|
|
E3L055106
BDB055106
|
BDBM50401437
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4cnccn4)CC3)c2[nH]1
|
C20H22ClN9 423.912000 |
YSOVGVFBIJMIIQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401437; PubChem:CID71459750
|
Local ready
Direct docking supported
|
|
E3L055107
BDB055107
|
BDBM50401438
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(N6CCN(C)CC6)c5)[nH]c34)CC2)no1
|
C26H31ClN8O 507.042000 |
ROFVRNNNZDBODT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401438; PubChem:CID71455744
|
Local ready
Direct docking supported
|
|
E3L055108
BDB055108
|
BDBM50401439
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4cncnc4)CC3)c2[nH]1
|
C20H22ClN9 423.912000 |
NKTOEINNBIDTOF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401439; PubChem:CID71456035
|
Local ready
Direct docking supported
|
|
E3L055109
BDB055109
|
BDBM50401440
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5cncn5C)[nH]c34)CC2)no1
|
C19H21BrN8O 457.336000 |
QWRJMSZUKHRINI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401440; PubChem:CID70789751
|
Local ready
Direct docking supported
|
|
E3L055110
BDB055110
|
BDBM50401441
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)CC2)no1
|
C20H23ClN8O 426.912000 |
GOTODHLHVSBWDG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401441; PubChem:CID71452520
|
Local ready
Direct docking supported
|
|
E3L055111
BDB055111
|
BDBM50401442
COCCN1CCN(c2ccc(-c3nc4ncc(Br)c(N5CCN(Cc6cc(C)on6)CC5)c4[nH]3)cc2)CC1
|
C28H35BrN8O2 595.546000 |
HDSVJYMJPXJMOL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401442; PubChem:CID71461167
|
Local ready
Direct docking supported
|
|
E3L055112
BDB055112
|
BDBM50401443
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)c(F)c5)[nH]c34)CC2)no1
|
C26H30ClFN8O 525.032000 |
FLQVVGVSIXQQOB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401443; PubChem:CID71462905
|
Local ready
Direct docking supported
|
|
E3L055113
BDB055113
|
BDBM50401444
CC(=O)N1CCN(c2ccc(-c3nc4ncc(Br)c(N5CCN(Cc6cc(C)on6)CC5)c4[nH]3)cc2)CC1
|
C27H31BrN8O2 579.503000 |
FUFSEIZFPOBWDG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401444; PubChem:CID71452194
|
Local ready
Direct docking supported
|
|
E3L055114
BDB055114
|
BDBM50401445
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c34)CC2)no1
|
C25H28BrN7O2 538.450000 |
QMNYBHANABNQLH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401445; PubChem:CID71462903
|
Local ready
Direct docking supported
|
|
E3L055115
BDB055115
|
BDBM50401446
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4nonc4C)CC3)c2[nH]1
|
C19H22ClN9O 427.900000 |
VIDAYUVZSUVENI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401446; PubChem:CID71456034
|
Local ready
Direct docking supported
|
|
E3L055116
BDB055116
|
BDBM50401447
CCN1CCN(c2ccc(-c3nc4ncc(Cl)c(N5CCN(Cc6cc(C)on6)CC5)c4[nH]3)cc2)CC1
|
C27H33ClN8O 521.069000 |
UKHPKEUUBHOOEY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401447; PubChem:CID71462904
|
Local ready
Direct docking supported
|
|
E3L055117
BDB055117
|
BDBM50401448
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cn(C)nc5C5CC5)[nH]c34)CC2)no1
|
C22H25ClN8O 452.950000 |
URZPCWPXUTVDHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401448; PubChem:CID71459407
|
Local ready
Direct docking supported
|
|
E3L055118
BDB055118
|
BDBM50401449
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5nc(C)oc5C)[nH]c34)CC2)no1
|
C20H22BrN7O2 472.347000 |
CTCCPCJJBBXFHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50401449; PubChem:CID71456036
|
Local ready
Direct docking supported
|
|
E3L055119
BDB055119
|
BDBM50401474
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)N[C@H](C(=O)NCCCCCNc1c(NCCCCCNC(=O)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N32)c2ccccc2)c(=O)c1=O)c1ccccc1
|
C62H90N12O12 1195.474000 |
UGUURTYDXRGYRM-ZDURKQSOSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50401474
|
Local ready
Direct docking supported
|
|
E3L055120
BDB055120
|
BDBM50401475
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)N[C@H](C(=O)NCCNC(=O)CCC#CC#CCCC(=O)NCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N21)c1ccccc1)c1ccccc1
|
C62H86N12O12 1191.442000 |
BGCVKEKYZIOAGX-NAWBGGKMSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50401475
|
Local ready
Direct docking supported
|