| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020441
BDB020441
|
BDBM476742
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)[C@@H]3C(C)C)cc1
|
C29H35N7O3 529.645000 |
LKOVKVCJUKBIKS-ZEQKJWHPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476742; PubChem:CID121444013
|
Local ready
Direct docking supported
|
|
E3L020442
BDB020442
|
BDBM476743
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)[C@H]3C(C)C)cc1
|
C29H35N7O3 529.645000 |
LKOVKVCJUKBIKS-BVAGGSTKSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476743; PubChem:CID137497911
|
Local ready
Direct docking supported
|
|
E3L020443
BDB020443
|
BDBM476744
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C32CCCCC2)cc1
|
C31H37N7O3 555.683000 |
DWYQOBBTTDPQFQ-RUZDIDTESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476744; PubChem:CID137509589
|
Local ready
Direct docking supported
|
|
E3L020444
BDB020444
|
BDBM476745
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)[C@@H]3c2ccccc2)cc1
|
C32H33N7O3 563.662000 |
SQQCXUOIJMHDPD-GGXMVOPNSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476745; PubChem:CID121443303
|
Local ready
Direct docking supported
|
|
E3L020445
BDB020445
|
BDBM476747
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)[C@H]3c2ccccc2)cc1
|
C32H33N7O3 563.662000 |
SQQCXUOIJMHDPD-UHSQPCAPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476747; PubChem:CID121443972
|
Local ready
Direct docking supported
|
|
E3L020446
BDB020446
|
BDBM476750
C=CC(=O)Nc1cccc(C(=O)Nc2nn(C)c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c1
|
C29H35N7O3 529.645000 |
YANZGRPGNGIGRE-HSZRJFAPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476750; PubChem:CID121443949
|
Local ready
Direct docking supported
|
|
E3L020447
BDB020447
|
BDBM476752
C=CC(=O)Nc1ccc(C(=O)Nc2c3c(nn2C)C(C)(C)N(C(=O)N[C@H](CN(C)C)c2ccccc2)C3)cc1
|
C29H35N7O3 529.645000 |
ZNSLFIXWQIPEDT-HSZRJFAPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476752; PubChem:CID121444005
|
Local ready
Direct docking supported
|
|
E3L020448
BDB020448
|
BDBM476753
C=CC(=O)Nc1ccc(C(=O)Nc2nn(C)c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c(OC)c1
|
C30H37N7O4 559.671000 |
XCFYHAGBAZTPGS-HSZRJFAPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476753; PubChem:CID121444006
|
Local ready
Direct docking supported
|
|
E3L020449
BDB020449
|
BDBM476754
C=CC(=O)Nc1ccc(C(=O)Nc2c3c(nn2C)C(C)(C)N(C(=O)N[C@H](CN(C)C)c2ccccc2)C3)c(OC)c1
|
C30H37N7O4 559.671000 |
SRLFHMFKYFEFPP-HSZRJFAPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476754; PubChem:CID121444008
|
Local ready
Direct docking supported
|
|
E3L020450
BDB020450
|
BDBM476755
C=CC(=O)Nc1ccc(C(=O)Nc2nn(C)c3c2CN(C(=O)NC(C)CN(C)C)C3(C)C)cc1
|
C24H33N7O3 467.574000 |
WNOMOCPKNZTWEZ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476755; PubChem:CID137497918
|
Local ready
Direct docking supported
|
|
E3L020451
BDB020451
|
BDBM476756
C=CC(=O)Nc1ccc(C(=O)Nc2nn(C)c3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1
|
C29H34N6O4 530.629000 |
GMWAVNKSTCWVMZ-HSZRJFAPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476756; PubChem:CID121444010
|
Local ready
Direct docking supported
|
|
E3L020452
BDB020452
|
US10882866, Example Ib-57
CC(C1CC1)N1[C@H]2CCn3c(nc4cc(S(C)(=O)=O)ccc43)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C32H29Cl2FN4O3S 639.580000 |
VCRSAGLDBKMXKI-YWPGCURUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM477098; PubChem:CID155759699
|
Local ready
Direct docking supported
|
|
E3L020453
BDB020453
|
US10882866, Example Ib-59
CC(=O)Nc1ccc2c(c1)nc1n2CC[C@H]2[C@@H]1[C@H](c1cccc(Cl)c1F)[C@]1(C(=O)Nc3cc(Cl)ccc31)N2C(C)C1CC1
|
C33H30Cl2FN5O2 618.540000 |
KKWBFMSEZMITID-KKHOIBHMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM477100; PubChem:CID155759697
|
Local ready
Direct docking supported
|
|
E3L020454
BDB020454
|
US10882866, Example Ib-106
COC(=O)c1ccc2c(c1)nc1n2CC[C@H]2[C@@H]1[C@H](c1cccc(Cl)c1F)[C@]1(C(=O)Nc3cc(Cl)ccc31)N2CC1CC1
|
C32H27Cl2FN4O3 605.497000 |
HYVTYCBCSWFFMO-ACIRYHQQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM477102; PubChem:CID129028566
|
Local ready
Direct docking supported
|
|
E3L020455
BDB020455
|
US10882866, Example Ib-133
CS(=O)(=O)OCCN1[C@H]2CCn3c(nc4cc(C(=O)O)ccc43)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C30H25Cl2FN4O6S 659.523000 |
OPFIMDKKVPHGTG-YDXRHMNESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM477119; PubChem:CID155455959
|
Local ready
Direct docking supported
|
|
E3L020456
BDB020456
|
US10882866, Example Ib-234
COc1cc2c(cc1C(N)=O)nc1n2CC[C@H]2[C@@H]1[C@H](c1cccc(Cl)c1F)[C@]1(C(=O)Nc3cc(Cl)ccc31)N2CC1CC1
|
C32H28Cl2FN5O3 620.512000 |
VNGOBGSXHVARAH-YIZCCYSQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM477202; PubChem:CID129028680
|
Local ready
Direct docking supported
|
|
E3L020457
BDB020457
|
US10899769, Example 1
CN1Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n2CC1=O
|
C24H26F2N6O 452.509000 |
STWDWVRUKMSCNY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM480484; PubChem:CID139558243
|
Local ready
Direct docking supported
|
|
E3L020458
BDB020458
|
US10899769, Example 2
CN1Cc2c(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)nc(C3CC3)n2CC1=O
|
C22H23N7O 401.474000 |
FUFJLQXFXSHZQR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM480485; PubChem:CID139558229
|
Local ready
Direct docking supported
|
|
E3L020459
BDB020459
|
US10899769, Example 3
CC1C(=O)N(C)Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21
|
C25H28F2N6O 466.536000 |
KECYVMVFYPBARC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM480490; PubChem:CID139558288
|
Local ready
Direct docking supported
|
|
E3L020460
BDB020460
|
US10899769, Example 4
CCN1Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n2CC1=O
|
C25H28F2N6O 466.536000 |
VZRANZJNGSLNQP-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM480491; PubChem:CID139558246
|
Local ready
Direct docking supported
|