| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045321
BDB045321
|
BDBM50069790
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccc(C#N)cc2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C36H39Cl2N3O4S 680.698000 |
HKIFPQCLNWCVGR-NNAJYLLUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069790; PubChem:CID118730180
|
Local ready
Direct docking supported
|
|
E3L045322
BDB045322
|
BDBM50069791
COc1cc(NC(=O)C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(N)=O
|
C37H43Cl2N3O6S 728.739000 |
OOYQUIOGBNGBPF-MCUOQOIASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50069791
|
Local ready
Direct docking supported
|
|
E3L045323
BDB045323
|
BDBM50069793
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccccc2C(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C36H40Cl2N2O6S 699.697000 |
SSRSAHVFRVMXAG-GXPCTCNKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069793; PubChem:CID118730178
|
Local ready
Direct docking supported
|
|
E3L045324
BDB045324
|
BDBM50069794
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2cccc(C(=O)O)c2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C36H40Cl2N2O6S 699.697000 |
POIFJRXIXHGFLD-RVDHBOFVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069794; PubChem:CID118730177
|
Local ready
Direct docking supported
|
|
E3L045325
BDB045325
|
BDBM50069795
COc1cc(C(=O)O)ccc1NC(=O)C[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)C(C)(C)C)C2CC2)C1=O
|
C37H42Cl2N2O7S 729.723000 |
WAIDWBATMDUNPX-VUZLJUQZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50069795
|
Local ready
Direct docking supported
|
|
E3L045326
BDB045326
|
BDBM50069796
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccc(C(=O)O)cc2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C36H40Cl2N2O6S 699.697000 |
YWZYBDFFBNLFAW-RVDHBOFVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069796; PubChem:CID118730175
|
Local ready
Direct docking supported
|
|
E3L045327
BDB045327
|
BDBM50069797
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccccc2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C35H40Cl2N2O4S 655.688000 |
LXLAALURXKPNDV-KMXUMHSJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069797; PubChem:CID86731821
|
Local ready
Direct docking supported
|
|
E3L045328
BDB045328
|
BDBM50069798
COc1cc(NC(=O)C[C@@]2(C)C[C@H](c3cccc(Cl)c3F)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(=O)O
|
C37H41Cl2FN2O7S 747.713000 |
FIGDNRYTZGYMDA-SHBPLVQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50069798
|
Local ready
Direct docking supported
|
|
E3L045329
BDB045329
|
BDBM50069799
CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1cc(F)c(F)c(F)c1
|
C23H21ClF3N3O4 495.885000 |
FZINKXKQKUDBDP-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069799; PubChem:CID56839179
|
Local ready
Direct docking supported
|
|
E3L045330
BDB045330
|
BDBM50069800
CC(C)C[C@H]1N[C@@H](C(=O)N(C)C)[C@H](c2ccccc2)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C24H28ClN3O2 425.960000 |
VTKYXKHIEFVJSW-WHLIWEHUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069800; PubChem:CID11475818
|
Local ready
Direct docking supported
|
|
E3L045331
BDB045331
|
BDBM50069801
CC(C)C[C@@]1(C(=O)NCCc2ccncc2)N=CN(CC2CC2)[C@H]1c1ccc(Cl)cc1
|
C25H31ClN4O 439.003000 |
FLEPRYJBTOPZTM-UKILVPOCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50069801; PubChem:CID54766771
|
Local ready
Direct docking supported
|
|
E3L045332
BDB045332
|
Epigallocatechin Gallate
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
|
C22H18O11 458.375000 |
WMBWREPUVVBILR-WIYYLYMNSA-N | O75530, Q09472, Q92630, Q92793, Q92831 | CREB-binding protein, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Histone acetyltransferase KAT2B, Polycomb protein EED, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50070942; PubChem:CID65064
|
Local ready
Direct docking supported
|
|
E3L045333
BDB045333
|
Falcarindiol
C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCC
|
C17H24O2 260.377000 |
QWCNQXNAFCBLLV-YWALDVPYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50071370; PubChem:CID5281148
|
Local ready
Direct docking supported
|
|
E3L045334
BDB045334
|
BDBM50071820
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)C3(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)CCC3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C61H84N10O8 1085.405000 |
OMVBPXMCVLZSMI-PRXWBPHPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071820
|
Local ready
Direct docking supported
|
|
E3L045335
BDB045335
|
BDBM50071821
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C57H78N10O8 1031.313000 |
NZLKULFMTUXYTR-JSNDJGPMSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071821
|
Local ready
Direct docking supported
|
|
E3L045336
BDB045336
|
BDBM50071843
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NCC(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C57H80N10O7 1017.330000 |
GPKBDHHTTCGIAO-QLYDQGARSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071843
|
Local ready
Direct docking supported
|
|
E3L045337
BDB045337
|
BDBM50071844
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C56H77N9O7 988.288000 |
LVSCGNZQGKTFCG-NVLPYBLVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071844
|
Local ready
Direct docking supported
|
|
E3L045338
BDB045338
|
BDBM50071845
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C56H77N9O7 988.288000 |
UROIIFBMEHPIGR-JSNDJGPMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071845
|
Local ready
Direct docking supported
|
|
E3L045339
BDB045339
|
BDBM50071846
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C55H77N9O6 960.278000 |
WBLPGUTUYUQRAH-JSNDJGPMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071846
|
Local ready
Direct docking supported
|
|
E3L045340
BDB045340
|
BDBM50071847
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(O[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C55H76N8O7 961.262000 |
IBUAVNGTMFWXEN-JSNDJGPMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50071847
|
Local ready
Direct docking supported
|