| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045341
BDB045341
|
BDBM50071848
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc([C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C55H76N8O6 945.263000 |
MCUCXLXZRLIPIS-JSNDJGPMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071848
|
Local ready
Direct docking supported
|
|
E3L045342
BDB045342
|
BDBM50071849
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(CCN[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C64H86N10O7 1107.455000 |
AWMDVTVHSSNVGB-KHFWCYFCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071849
|
Local ready
Direct docking supported
|
|
E3L045343
BDB045343
|
BDBM50071850
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CCCC(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C60H84N10O8 1073.394000 |
NQARVPNPYPHNOD-MLOMWMBNSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071850
|
Local ready
Direct docking supported
|
|
E3L045344
BDB045344
|
BDBM50071851
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C60H78F6N10O8 1181.334000 |
QPEYDHPWFLBNLA-JSNDJGPMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071851
|
Local ready
Direct docking supported
|
|
E3L045345
BDB045345
|
BDBM50071863
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C56H78N10O7 1003.303000 |
HEUQZEJFJZTMAR-JSNDJGPMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071863
|
Local ready
Direct docking supported
|
|
E3L045346
BDB045346
|
Birinapant
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12
|
C42H56F2N8O6 806.956000 |
PKWRMUKBEYJEIX-DXXQBUJASA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50071920; PubChem:CID49836020
|
Local ready
Direct docking supported
|
|
E3L045347
BDB045347
|
BDBM50073545
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3cccc(CN4CCOCC4)c3)n[nH]c2c1
|
C30H28N4O2 476.580000 |
CVMCIQIOWUFBGE-VLXKKGHZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073545; PubChem:CID58486294
|
Local ready
Direct docking supported
|
|
E3L045348
BDB045348
|
BDBM50073549
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCCOCC4)cc3)n[nH]c2c1
|
C31H30N4O2 490.607000 |
JIJRHKXILZVOCC-DAGBDIRBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073549; PubChem:CID58486166
|
Local ready
Direct docking supported
|
|
E3L045349
BDB045349
|
BDBM50073552
CN1CCC(Oc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1
|
C31H30N4O2 490.607000 |
QQQHEKKJXCPXAX-SPGBXREFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073552; PubChem:CID58486383
|
Local ready
Direct docking supported
|
|
E3L045350
BDB045350
|
BDBM50073554
CN1CCN(c2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)N(C)c5ccccc56)ccc34)cn2)CC1
|
C30H30N6O 490.611000 |
JZIZUMLXHJPWJH-WQRKFILVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073554; PubChem:CID58486297
|
Local ready
Direct docking supported
|
|
E3L045351
BDB045351
|
BDBM50073555
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(N4CCNCC4)cc3)n[nH]c2c1
|
C29H27N5O 461.569000 |
FJXHOUJMCHOYIO-QCPDJZBESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073555; PubChem:CID58486138
|
Local ready
Direct docking supported
|
|
E3L045352
BDB045352
|
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC
|
C14H19N5O2 289.339000 |
APKHJGDGWQDBGM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50073568; PubChem:CID616267
|
Local ready
Direct docking supported
|
|
E3L045353
BDB045353
|
BDBM50073582
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)N(C)c4ccccc45)ccc23)cc1
|
C29H28N4O 448.570000 |
RBHLIUIZXOCECI-WCJYFFLOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073582; PubChem:CID58486258
|
Local ready
Direct docking supported
|
|
E3L045354
BDB045354
|
BDBM50073584
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCCCC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H32N4O2 504.634000 |
BVEKREGXHABVFX-KQWMEKAXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073584; PubChem:CID58486224
|
Local ready
Direct docking supported
|
|
E3L045355
BDB045355
|
BDBM50073585
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2C
|
C32H32N4O3 520.633000 |
CFVRISSXNGRSCL-PPDHBDSZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073585; PubChem:CID58486278
|
Local ready
Direct docking supported
|
|
E3L045356
BDB045356
|
BDBM50073586
C[C@@H]1CN(Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)C[C@H](C)O1
|
C32H32N4O2 504.634000 |
JOCNOQUWDPPPRY-LYWAIKEGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073586; PubChem:CID58486129
|
Local ready
Direct docking supported
|
|
E3L045357
BDB045357
|
CFI-400945 free base
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2
|
C33H34N4O3 534.660000 |
DADASRPKWOGKCU-FVTQAUBDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50073587; PubChem:CID58486178
|
Local ready
Direct docking supported
|
|
E3L045358
BDB045358
|
Cgp74514A
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21
|
C19H24ClN7 385.903000 |
UTBSBSOBZHXMHI-LSDHHAIUSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50073765; PubChem:CID2794188
|
Local ready
Direct docking supported
|
|
E3L045359
BDB045359
|
Unc1999
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
|
C33H43N7O2 569.754000 |
DPJNKUOXBZSZAI-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50075071; PubChem:CID72551585
|
Local ready
Direct docking supported
|
|
E3L045360
BDB045360
|
BDBM50075101
CCCN[C@@H](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C18H29N7O5 423.474000 |
ZDIZXAAADLAUDS-GTAFEMJLSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50075101; PubChem:CID60150359
|
Local ready
Direct docking supported
|