| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056201
BDB056201
|
5-amino-3-thiophen-2-yl-2H-isoquinolin-1-one
Nc1cccc2c(=O)[nH]c(-c3cccs3)cc12
|
C13H10N2OS 242.303000 |
INTOBQBKQVZYNK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50438609; PubChem:CID71769290
|
Local ready
Direct docking supported
|
|
E3L056202
BDB056202
|
H-Ala-Val-Pro-Phg-Tyr-NH(2)
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)c1ccccc1
|
C30H40N6O6 580.686000 |
AHRUXJSHORHSLD-WCJQXVFBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50438755; PubChem:CID73346661
|
Local ready
Direct docking supported
|
|
E3L056203
BDB056203
|
Me-Ala-Val-Pro-Phe-Tyr-NH2
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C
|
C32H44N6O6 608.740000 |
MRZHVEOOXLFXGL-KKASSDGMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50438756; PubChem:CID73352205
|
Local ready
Direct docking supported
|
|
E3L056204
BDB056204
|
Ala-Val-Pro-Phe-Tyr-NH2
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
|
C31H42N6O6 594.713000 |
GYRSNJHDXDSICK-YPOOPGCJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50438757; PubChem:CID73346078
|
Local ready
Direct docking supported
|
|
E3L056205
BDB056205
|
9-Chloro-10-phenylpyrimido[4,5-b]quinoline-2,4-dione
O=c1nc2n(-c3ccccc3)c3c(Cl)cccc3cc-2c(=O)[nH]1
|
C17H10ClN3O2 323.739000 |
YVSMZEICTKINIT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50438877; PubChem:CID71818716
|
Local ready
Direct docking supported
|
|
E3L056206
BDB056206
|
BDBM50439249
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccn1
|
C28H38ClN5O2 512.098000 |
DOPWMPRIRWTOOD-YZUZCNPQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439249; PubChem:CID60162599
|
Local ready
Direct docking supported
|
|
E3L056207
BDB056207
|
BDBM50439250
Cc1ccccc1N1CC(C)(C)N([C@H]2CNC[C@@H](C(=O)N[C@H](CC(C)C)c3ccc(F)cn3)C2)CC1=O
|
C29H40FN5O2 509.670000 |
SURFEDDEQIGIAF-QQKQFIJSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439250; PubChem:CID50914590
|
Local ready
Direct docking supported
|
|
E3L056208
BDB056208
|
BDBM50439251
Cc1ccc(F)cc1N1CC(C)(C)N([C@H]2CNC[C@@H](C(=O)N[C@H](CC(C)C)c3ccc(F)cn3)C2)CC1=O
|
C29H39F2N5O2 527.660000 |
AYJWYXSNEYSBKE-QUURXOELSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439251; PubChem:CID60162861
|
Local ready
Direct docking supported
|
|
E3L056209
BDB056209
|
BDBM50439252
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ncco1
|
C26H36ClN5O3 502.059000 |
IPWZYHHAGSNUQN-QKNQBKEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439252; PubChem:CID72164592
|
Local ready
Direct docking supported
|
|
E3L056210
BDB056210
|
BDBM50439253
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccno1
|
C26H36ClN5O3 502.059000 |
VPWKOWNFRQOUAP-QKNQBKEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439253; PubChem:CID72164590
|
Local ready
Direct docking supported
|
|
E3L056211
BDB056211
|
BDBM50439254
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cncc(F)c1
|
C28H37ClFN5O2 530.088000 |
HQBDJWJDMKKWJP-BGWNEDDSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439254; PubChem:CID60162601
|
Local ready
Direct docking supported
|
|
E3L056212
BDB056212
|
BDBM50439255
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(F)cn1
|
C28H37ClFN5O2 530.088000 |
ARAQVWPNKFJBQQ-XZDHIHRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439255; PubChem:CID69918384
|
Local ready
Direct docking supported
|
|
E3L056213
BDB056213
|
BDBM50439256
CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(Cl)cc1
|
C27H34Cl2N4O2 517.501000 |
KBQYJISKDVCQOT-XKCSPQBFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439256; PubChem:CID72164473
|
Local ready
Direct docking supported
|
|
E3L056214
BDB056214
|
BDBM50439257
CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cccc(Cl)c1
|
C27H34Cl2N4O2 517.501000 |
NXDABLYXZOOKHQ-XKCSPQBFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439257; PubChem:CID72164471
|
Local ready
Direct docking supported
|
|
E3L056215
BDB056215
|
BDBM50439258
CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(F)cc1
|
C27H34ClFN4O2 501.046000 |
DIYNMGLMCBQYIN-XKCSPQBFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439258; PubChem:CID50914449
|
Local ready
Direct docking supported
|
|
E3L056216
BDB056216
|
BDBM50439259
CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cccc(F)c1
|
C27H34ClFN4O2 501.046000 |
ZJTUIPGXPDJATD-XKCSPQBFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439259; PubChem:CID50914448
|
Local ready
Direct docking supported
|
|
E3L056217
BDB056217
|
BDBM50439260
CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1F
|
C27H34ClFN4O2 501.046000 |
RMTLXCHQKBJUIA-YCRNBWNJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50439260; PubChem:CID50914306
|
Local ready
Direct docking supported
|
|
E3L056218
BDB056218
|
6-(2,9-Diazaspiro[5.5]undecan-9-Yl)-9h-Purine
c1nc(N2CCC3(CCCNC3)CC2)c2[nH]cnc2n1
|
C14H20N6 272.356000 |
ZXMGQAIKNOIWHC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50439463; PubChem:CID70789255
|
Local ready
Direct docking supported
|
|
E3L056219
BDB056219
|
6-(1,9-Diazaspiro[5.5]undecan-9-Yl)-9h-Purine
c1nc(N2CCC3(CCCCN3)CC2)c2[nH]cnc2n1
|
C14H20N6 272.356000 |
SLPPJSSITOXUMX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50439464; PubChem:CID70789254
|
Local ready
Direct docking supported
|
|
E3L056220
BDB056220
|
BDBM50439465
O=C(O)C1CCC2(CCN(c3ncnc4nc[nH]c34)CC2)NC1
|
C15H20N6O2 316.365000 |
DKDRBYGOIPHLMM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50439465; PubChem:CID72164208
|
Local ready
Direct docking supported
|