| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054981
BDB054981
|
BDBM50393631
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC(=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
|
C58H72N10O8 1037.276000 |
NMLATCDGFYOQGB-DCMCIBSESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50393631
|
Local ready
Direct docking supported
|
|
E3L054982
BDB054982
|
BDBM50393632
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(=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
|
C60H76N10O8 1065.330000 |
UJONUJWQMPOLGZ-DSNABAJCSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50393632
|
Local ready
Direct docking supported
|
|
E3L054983
BDB054983
|
BDBM50393633
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCC(=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
|
C62H80N10O8 1093.384000 |
ZKVMGHUNBFIVQU-BTQIASGJSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50393633
|
Local ready
Direct docking supported
|
|
E3L054984
BDB054984
|
BDBM50393634
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCCCC(=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
|
C64H84N10O8 1121.438000 |
RLPWJSZVGNKKIJ-YBEGZINPSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50393634
|
Local ready
Direct docking supported
|
|
E3L054985
BDB054985
|
BDBM50393635
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCCCCCC(=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
|
C66H88N10O8 1149.492000 |
DXCPTXCRBFZDAZ-JRNDJQCJSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50393635
|
Local ready
Direct docking supported
|
|
E3L054986
BDB054986
|
BDBM50393636
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCc2ccc(CCCCC(=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
|
C70H88N10O8 1197.536000 |
YJVTYNNPLFCDNS-KDWLGRJZSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50393636
|
Local ready
Direct docking supported
|
|
E3L054987
BDB054987
|
BDBM50393637
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCOCCCCC(=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
|
C64H84N10O9 1137.437000 |
CAABEPVOUKDUDS-YBEGZINPSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50393637
|
Local ready
Direct docking supported
|
|
E3L054988
BDB054988
|
BDBM50393638
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(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
|
C62H72N10O8 1085.320000 |
UDMWALGUCNANOV-CEQBHCGOSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50393638
|
Local ready
Direct docking supported
|
|
E3L054989
BDB054989
|
BDBM50393756
Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
|
C15H18N4 254.337000 |
XXXPSYBQNILIFB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50393756; PubChem:CID58394927
|
Local ready
Direct docking supported
|
|
E3L054990
BDB054990
|
BDBM50394200
CCCOc1ccc(C[C@H](CCc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C38H45NO4 579.781000 |
LRXGJOXZHIWAFZ-MAWGWABVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394200; PubChem:CID56929220
|
Local ready
Direct docking supported
|
|
E3L054991
BDB054991
|
BDBM50394201
CCCOc1ccc(C[C@@H](CCc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C38H45NO4 579.781000 |
LRXGJOXZHIWAFZ-XVDLPIACSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394201; PubChem:CID56929315
|
Local ready
Direct docking supported
|
|
E3L054992
BDB054992
|
BDBM50394202
CCCOc1ccc(C[C@H](CC2CCCCC2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C37H49NO4 571.802000 |
PNLONEWDPBDYQU-KHXABJNDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394202; PubChem:CID56929317
|
Local ready
Direct docking supported
|
|
E3L054993
BDB054993
|
BDBM50394203
CCCOc1ccc(C[C@@H](CC2CCCCC2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C37H49NO4 571.802000 |
PNLONEWDPBDYQU-PNXYMTDXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394203; PubChem:CID56929316
|
Local ready
Direct docking supported
|
|
E3L054994
BDB054994
|
BDBM50394210
COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3O)C(c3ccc(Cl)cc3)C2)cc1
|
C23H18Cl2N2O3 441.314000 |
LCVXUFKGARHCPF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394210; PubChem:CID71456750
|
Local ready
Direct docking supported
|
|
E3L054995
BDB054995
|
BDBM50394341
OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
|
C25H34O11 510.536000 |
RMPZSLTVINHQDZ-NWKFWMDCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394341; PubChem:CID10896495
|
Local ready
Direct docking supported
|
|
E3L054996
BDB054996
|
BDBM50394342
OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)c(O)c2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
|
C25H34O10 494.537000 |
YPTMXINWVADWFE-ULBMCJIESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50394342; PubChem:CID11071056
|
Local ready
Direct docking supported
|
|
E3L054997
BDB054997
|
BDBM50394343
OC[C@H]1O[C@@H](O[C@H](CCc2ccc(O)cc2)C[C@H](O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
|
C25H34O9 478.538000 |
WRUJLWFLDOUUHV-UYJXDEQJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394343; PubChem:CID10896097
|
Local ready
Direct docking supported
|
|
E3L054998
BDB054998
|
Plantagineoside C
OC[C@H]1O[C@@H](O[C@@H]2C[C@H](CCc3ccc(O)c(O)c3)O[C@H](c3ccc(O)c(O)c3)C2)[C@H](O)[C@@H](O)[C@@H]1O
|
C25H32O11 508.520000 |
KNGLPVKCHBEQMT-AHVKKWOPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394344; PubChem:CID71455005
|
Local ready
Direct docking supported
|
|
E3L054999
BDB054999
|
Plantagineoside B
OC[C@H]1O[C@@H](Oc2ccc(CCCC[C@H](O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
|
C31H44O15 656.678000 |
GPTLRCCVBQZPIL-BTNSERKDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394345; PubChem:CID71449654
|
Local ready
Direct docking supported
|
|
E3L055000
BDB055000
|
Plantagineoside A
O=C(CCCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
|
C31H42O15 654.662000 |
AHSFPZHWAFXABZ-GNZBLXBPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50394346; PubChem:CID71453290
|
Local ready
Direct docking supported
|