| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055901
BDB055901
|
BDBM50432755
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C64H86N12O8 1151.468000 |
HLFSVLWTUQVBNO-YBEGZINPSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50432755
|
Local ready
Direct docking supported
|
|
E3L055902
BDB055902
|
BDBM50432756
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C60H78N12O8 1095.360000 |
IKAZUBYOAREMAR-DSNABAJCSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50432756
|
Local ready
Direct docking supported
|
|
E3L055903
BDB055903
|
BDBM50432757
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)N2CCN(C(=O)N3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@@H](NC(=O)[C@H](C)NC)C3)CC2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C60H76N12O8 1093.344000 |
ULKJATGOQUMNBW-DSNABAJCSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50432757
|
Local ready
Direct docking supported
|
|
E3L055904
BDB055904
|
BDBM50432758
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)N[C@H]2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@@H](NC(=O)[C@H](C)NC)C3)CC2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C62H80N12O8 1121.398000 |
ZODHCOWVJNCOFB-JOAOFPHVSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50432758
|
Local ready
Direct docking supported
|
|
E3L055905
BDB055905
|
BDBM50432759
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(NC(=O)N4CC[C@H]5CC[C@@H](C(=O)NC(c6ccccc6)c6ccccc6)N5C(=O)[C@@H](NC(=O)[C@H](C)NC)C4)cc3)cc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C68H78N12O9 1207.447000 |
WQKJLURQKWFJSF-HDPQYBQWSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50432759
|
Local ready
Direct docking supported
|
|
E3L055906
BDB055906
|
BDBM50432760
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CC[C@H]5CC[C@@H](C(=O)NC(c6ccccc6)c6ccccc6)N5C(=O)[C@@H](NC(=O)[C@H](C)NC)C4)cc3)cc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C69H80N12O8 1205.475000 |
DHBOEJJPDGNOTI-FIMSWPKWSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50432760
|
Local ready
Direct docking supported
|
|
E3L055907
BDB055907
|
BDBM50432761
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCc2cccc(CNC(=O)N3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@@H](NC(=O)[C@H](C)NC)C3)c2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C64H78N12O8 1143.404000 |
ISELJTJQCKSQCK-SQHFRGFLSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50432761
|
Local ready
Direct docking supported
|
|
E3L055908
BDB055908
|
BDBM50432762
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Nc2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@@H](NC(=O)[C@H](C)NC)C3)c2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C62H74N12O8 1115.350000 |
LOYSOJNWDYWXHG-CEQBHCGOSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50432762
|
Local ready
Direct docking supported
|
|
E3L055909
BDB055909
|
BDBM50432763
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Nc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@@H](NC(=O)[C@H](C)NC)C3)cc2)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C62H74N12O8 1115.350000 |
SGWUDLNUDPDRSR-CEQBHCGOSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50432763
|
Local ready
Direct docking supported
|
|
E3L055910
BDB055910
|
BDBM50433095
O=c1[nH]c(CCCN2CCC(c3ccc(Cl)cc3)CC2)nc2ccccc12
|
C22H24ClN3O 381.907000 |
BZWKNGNQRBBNAW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50433095; PubChem:CID136244542
|
Local ready
Direct docking supported
|
|
E3L055911
BDB055911
|
BDBM50433096
O=c1[nH]c(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12
|
C21H23ClN4O 382.895000 |
PKIGUBXVWVZBFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50433096; PubChem:CID136254399
|
Local ready
Direct docking supported
|
|
E3L055912
BDB055912
|
BDBM50433097
O=c1[nH]c(CCCN2CCN(c3ccc(F)cc3)CC2)nc2ccccc12
|
C21H23FN4O 366.440000 |
VKRLDSMSRYWBJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50433097; PubChem:CID136240852
|
Local ready
Direct docking supported
|
|
E3L055913
BDB055913
|
BDBM50433098
COc1ccccc1N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
|
C22H26N4O2 378.476000 |
MQPUPFPSPOAIFR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50433098; PubChem:CID136239430
|
Local ready
Direct docking supported
|
|
E3L055914
BDB055914
|
4-Quinazolone, 2-butyl
CCCCc1nc2ccccc2c(=O)[nH]1
|
C12H14N2O 202.257000 |
WBFIFMJPHUALRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50433099; PubChem:CID135512543
|
Local ready
Direct docking supported
|
|
E3L055915
BDB055915
|
BDBM50433560
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O
|
C99H155N27O25 2123.493000 |
KGIZCIZPMJHHBJ-LPZWIQKBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50433560
|
Local ready
Direct docking supported
|
|
E3L055916
BDB055916
|
BDBM50433561
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C29H34Cl2FN3O3 562.513000 |
IDKAKZRYYDCJDU-HBMMIIHUSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50433561
|
Local ready
Direct docking supported
|
|
E3L055917
BDB055917
|
BDBM50433562
COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCN(C(C)=O)CC2)c(OC(C)C)c1
|
C32H34Cl2N4O4 609.554000 |
IYDMGGPKSVWQRT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50433562; PubChem:CID10008863
|
Local ready
Direct docking supported
|
|
E3L055918
BDB055918
|
H-Phe-Met-Asp-Tyr-Trp-Glu-Gly-Leu-NH2
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(N)=O
|
C51H66N10O13S 1059.213000 |
QWTNEVFPUSLSCU-FTZOFIEWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50433563; PubChem:CID73356477
|
Local ready
Direct docking supported
|
|
E3L055919
BDB055919
|
BDBM50433564
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
|
C73H102N18O19S2 1599.860000 |
SSPKZXZLNSQEHB-FCDAVOGYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50433564
|
Local ready
Direct docking supported
|
|
E3L055920
BDB055920
|
BDBM50433629
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
|
C25H18N4O2 406.445000 |
XLSPYLMTRXPYKY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433629; PubChem:CID44189332
|
Local ready
Direct docking supported
|