| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050221
BDB050221
|
BDBM50261656
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
|
C68H94N14O20 1427.578000 |
IAOFKRFVYOFYTI-KEQPWATNSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50261656
|
Local ready
Direct docking supported
|
|
E3L050222
BDB050222
|
H-Thr-Ser-Phe-Ala-Glu-Tyr-Trp-Asn-Leu-Leu-D-Tyr-Pro-OH
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O
|
C74H98N14O20 1503.676000 |
MJUNOVRHVGCIDZ-RZPOAMPKSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50261657; PubChem:CID137650672
|
Local ready
Direct docking supported
|
|
E3L050223
BDB050223
|
H-Thr-Ser-Phe-Ala-Glu-Tyr-Trp-Asn-Leu-Leu-D-His-Pro-OH
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O
|
C71H96N16O19 1477.642000 |
ZYPYAXPTWKNCLK-LPSCLBFBSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50261658; PubChem:CID137662087
|
Local ready
Direct docking supported
|
|
E3L050224
BDB050224
|
H-Glu-Thr-Phe-Ser-Asp-Leu-Trp-Lys-Leu-Leu-Pro-Glu-OH
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
|
C70H104N14O21 1477.679000 |
XEUWOGGAUYQDDW-CCIJQOLZSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50261659; PubChem:CID137637443
|
Local ready
Direct docking supported
|
|
E3L050225
BDB050225
|
BDBM50261701
Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1
|
C24H25NO6 423.465000 |
PDHHMAZLDSSIHQ-OWWJJEGGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50261701
|
Local ready
Direct docking supported
|
|
E3L050226
BDB050226
|
BDBM50261702
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1
|
C25H27NO6 437.492000 |
QJSMCQQAUANXCW-KJDSRRNHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50261702
|
Local ready
Direct docking supported
|
|
E3L050227
BDB050227
|
BDBM50261703
Cc1ccc(-c2nc(CCOc3ccc(C[C@H]4CO[C@@](C)(C(=O)O)OC4)cc3)c(C)o2)cc1
|
C26H29NO6 451.519000 |
KODZUQJJFASRQG-ZVWHWTBFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50261703
|
Local ready
Direct docking supported
|
|
E3L050228
BDB050228
|
BDBM50261878
Cc1ccc(-c2nc(COc3ccc(C[C@H]4CO[C@@](C)(C(=O)O)OC4)cc3)c(C)o2)s1
|
C23H25NO6S 443.521000 |
BNXZEPGDSQRTSS-LBEPJEHYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50261878
|
Local ready
Direct docking supported
|
|
E3L050229
BDB050229
|
BDBM50261879
Cc1ccc(-c2nc(CCOc3ccc(C[C@H]4CO[C@@](C)(C(=O)O)OC4)cc3)c(C)o2)s1
|
C24H27NO6S 457.548000 |
KJZIXZXYBFJCIE-OWWJJEGGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50261879
|
Local ready
Direct docking supported
|
|
E3L050230
BDB050230
|
BDBM50261880
Cc1oc(C(C)(C)C)nc1CCOc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1
|
C23H31NO6 417.502000 |
KLUBODSSPYNARE-LBEPJEHYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50261880
|
Local ready
Direct docking supported
|
|
E3L050231
BDB050231
|
N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
|
C15H12N2OS2 300.408000 |
GCLLSWDNUPEMDW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50262664; PubChem:CID644846
|
Local ready
Direct docking supported
|
|
E3L050232
BDB050232
|
BDBM50262667
COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2
|
C16H12N2O2S2 328.418000 |
ICJHKBYQTSPGFA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50262667; PubChem:CID889490
|
Local ready
Direct docking supported
|
|
E3L050233
BDB050233
|
BDBM50262955
CCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NO)c(C)n(S(=O)(=O)c4ccc(OCC)cc4)c3c3ccccc23)cc1
|
C30H29N3O8S2 623.709000 |
KBWJOQJHXVYEPI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50262955; PubChem:CID137650952
|
Local ready
Direct docking supported
|
|
E3L050234
BDB050234
|
BDBM50262956
CNNC(=O)c1c(C)n(S(=O)(=O)c2ccc(OC)cc2)c2c1cc(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc12
|
C29H28N4O7S2 608.698000 |
FRVVFBHYTIYFMV-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50262956; PubChem:CID137637791
|
Local ready
Direct docking supported
|
|
E3L050235
BDB050235
|
BDBM50262957
COc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NNc4ccccc4)c(C)n(S(=O)(=O)c4ccc(OC)cc4)c3c3ccccc23)cc1
|
C34H30N4O7S2 670.769000 |
OJVWRDIHRMOSNC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50262957; PubChem:CID137652956
|
Local ready
Direct docking supported
|
|
E3L050236
BDB050236
|
BDBM50262958
COc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NNc4ccc([N+](=O)[O-])cc4)c(C)n(S(=O)(=O)c4ccc(OC)cc4)c3c3ccccc23)cc1
|
C34H29N5O9S2 715.766000 |
ABULLFQDIISIAQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50262958; PubChem:CID137638786
|
Local ready
Direct docking supported
|
|
E3L050237
BDB050237
|
BDBM50262959
CCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NN)c(C)n(S(=O)(=O)c4ccc(OCC)cc4)c3c3ccccc23)cc1
|
C30H30N4O7S2 622.725000 |
GSBZPPGFALXVBL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50262959; PubChem:CID137647262
|
Local ready
Direct docking supported
|
|
E3L050238
BDB050238
|
BDBM50262960
COc1ccc(NNC(=O)c2c(C)n(S(=O)(=O)c3ccc(OC)cc3)c3c2cc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc23)cc1
|
C35H32N4O8S2 700.795000 |
PLMFRDZAZXIWSY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50262960; PubChem:CID137659055
|
Local ready
Direct docking supported
|
|
E3L050239
BDB050239
|
BDBM50263046
Cc1cc(Nc2cc(N3CCCCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1
|
C23H28N8O 432.532000 |
JNZKENWWCGIHDV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50263046; PubChem:CID137640111
|
Local ready
Direct docking supported
|
|
E3L050240
BDB050240
|
BDBM50263056
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CCCCC4)cc3)nc(N3CCN(C)CC3)n2)n[nH]1
|
C25H33N9OS 507.668000 |
JSKOFTDOVDUJQY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50263056; PubChem:CID137637401
|
Local ready
Direct docking supported
|