| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049981
BDB049981
|
BDBM50253145
[C][C][C@H]([C])[C@H]([N]C(=O)[C@H]([C][O])[N]C(=O)[C@H]([C][O])[N]C(=O)[C@H]([C][C]([C])[C])[N]C(=O)[C@H]([C][C][C][C][N])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C]C([N])=O)[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C][C][C][N])[N]C(=O)[C@H]([C][C][C][C][N])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C][N]C(=O)[C@@H]([N])[C]c1ccc([O])cc1)C(=O)[N][C@@H]([C][C]C([O])=O)C(=O)[N][C@@H]([C][O])C(=O)[N][C@@H]([C]C([O])=O)C(=O)[N][C@@H]([C]([C])[C])C([O])=O
|
C105H24N42O30 2353.611000 |
IJARULFXMRRZRY-FKXNDIMNSA-N | P78352 | Disks large homolog 4 |
BindingDB
BindingDB:BDBM50253145
|
Local ready
Direct docking supported
|
|
E3L049982
BDB049982
|
H-Glu-Ser-Asp-Val-OH
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
|
C17H28N4O10 448.429000 |
AJXONGJARXYRDO-YVNDNENWSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253146; PubChem:CID25062886
|
Local ready
Direct docking supported
|
|
E3L049983
BDB049983
|
BDBM50253222
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
|
C18H30N4O10 462.456000 |
YTNSANDMIXPEOB-RMIALFOJSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253222; PubChem:CID44568990
|
Local ready
Direct docking supported
|
|
E3L049984
BDB049984
|
BDBM50253223
CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C
|
C18H30N4O10 462.456000 |
YGZHTJCMFNVSDW-RMIALFOJSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253223; PubChem:CID44568992
|
Local ready
Direct docking supported
|
|
E3L049985
BDB049985
|
BDBM50253224
CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
|
C16H26N4O10 434.402000 |
WNEFKHIVDFGNSU-XKNYDFJKSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253224; PubChem:CID44568993
|
Local ready
Direct docking supported
|
|
E3L049986
BDB049986
|
BDBM50253251
CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
|
C17H17N9O 363.385000 |
KNRONZUHGXIQLA-UHFFFAOYSA-N | Q99570 | Phosphoinositide 3-kinase regulatory subunit 4 |
BindingDB, PubChem
BindingDB:BDBM50253251; PubChem:CID137639139
|
Local ready
Direct docking supported
|
|
E3L049987
BDB049987
|
BDBM50253260
CC(C)(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
|
C18H30N4O10 462.456000 |
YFHJRPDPJMYESB-AVWBDOJWSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253260; PubChem:CID44568997
|
Local ready
Direct docking supported
|
|
E3L049988
BDB049988
|
BDBM50253261
CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
|
C18H31N5O9 461.472000 |
XMNHLAFMWAEDQB-RMIALFOJSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253261; PubChem:CID44568998
|
Local ready
Direct docking supported
|
|
E3L049989
BDB049989
|
BDBM50253262
CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
|
C18H30N4O10 462.456000 |
QKIPWEADEMCLIX-RMIALFOJSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253262; PubChem:CID25062887
|
Local ready
Direct docking supported
|
|
E3L049990
BDB049990
|
BDBM50253297
CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
|
C17H29N5O9 447.445000 |
OWCODBVPZFHRRZ-YVNDNENWSA-N | P78352 | Disks large homolog 4 |
BindingDB, PubChem
BindingDB:BDBM50253297; PubChem:CID44569003
|
Local ready
Direct docking supported
|
|
E3L049991
BDB049991
|
BDBM50253802
Cc1cccc(Nc2cc(Cl)nc(SC(C)C(=O)O)n2)c1C
|
C15H16ClN3O2S 337.832000 |
IITOMHQCBQHKGQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50253802; PubChem:CID11978565
|
Local ready
Direct docking supported
|
|
E3L049992
BDB049992
|
BDBM50253803
Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3ccccc3)n2)c1C
|
C20H18ClN3O2S 399.903000 |
SABFOCWZUFNJNB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50253803; PubChem:CID24828802
|
Local ready
Direct docking supported
|
|
E3L049993
BDB049993
|
BDBM50255012
CS(=O)(=O)c1ccc(CNCc2cc(C(=O)O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
|
C22H18F3IN2O4S 590.361000 |
FHSZADDMYZNJFY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50255012; PubChem:CID44570553
|
Local ready
Direct docking supported
|
|
E3L049994
BDB049994
|
BDBM50255013
NC(=O)C[C@H](N)C(=O)NCc1cc(C(=O)O)c(Nc2ccc(I)cc2F)c(F)c1F
|
C18H16F3IN4O4 536.248000 |
HKMQIJIERJBQIP-NSHDSACASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50255013; PubChem:CID44570554
|
Local ready
Direct docking supported
|
|
E3L049995
BDB049995
|
BDBM50255048
O=C(NN=Cc1cc(C(=O)O)c(Nc2ccc(I)cc2F)c(F)c1F)c1ccc(CO)o1
|
C20H13F3IN3O5 559.238000 |
KRHBKGFRNLMKSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50255048
|
Local ready
Direct docking supported
|
|
E3L049996
BDB049996
|
BDBM50255049
O=C(CS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cc(C(=O)O)c(Nc2ccc(I)cc2F)c(F)c1F
|
C22H14ClF3IN3O5S 651.788000 |
LIPBUDUJYLHQGE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50255049
|
Local ready
Direct docking supported
|
|
E3L049997
BDB049997
|
BDBM50255183
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C32H42N4O3 530.713000 |
GSYDLODTKWENBK-UZYJKHRNSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50255183; PubChem:CID25209021
|
Local ready
Direct docking supported
|
|
E3L049998
BDB049998
|
BDBM50255244
CN[C@@H](C)C(=O)N[C@H]1C/C=C\C[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C32H40N4O3 528.697000 |
XRNWGSINTQPCAV-IXSUYCQFSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50255244
|
Local ready
Direct docking supported
|
|
E3L049999
BDB049999
|
3-Phenylquinoline-8-carboxamide
NC(=O)c1cccc2cc(-c3ccccc3)cnc12
|
C16H12N2O 248.285000 |
DFGJDJRADWQKAW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255264; PubChem:CID25208596
|
Local ready
Direct docking supported
|
|
E3L050000
BDB050000
|
3-(3-(Trifluoromethyl)phenyl)quinoline-8-carboxamide
NC(=O)c1cccc2cc(-c3cccc(C(F)(F)F)c3)cnc12
|
C17H11F3N2O 316.282000 |
SVBJVSUKCREZLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50255265; PubChem:CID25208597
|
Local ready
Direct docking supported
|