| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003441
BDB003441
|
9-Aminoacridine
Nc1c2ccccc2nc2ccccc12
|
C13H10N2 194.237000 |
XJGFWWJLMVZSIG-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM72700; PubChem:CID7019
|
Local ready
Direct docking supported
|
|
E3L003442
BDB003442
|
2,4-Dibromo-6-[(5-quinolinylimino)methyl]phenol
Oc1c(Br)cc(Br)cc1C=Nc1cccc2ncccc12
|
C16H10Br2N2O 406.077000 |
YYVFNCNQIMUTPA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM72789; PubChem:CID1239983
|
Local ready
Direct docking supported
|
|
E3L003443
BDB003443
|
BDBM73000
CC1=NOC(C)C1c1ccc2nc(-c3ccc(N4CCN(C(=O)CCCCCCCCCCCNC5C=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=CC5)CC4)cc3)c(NC3CCCCC3)n2c1
|
C53H69N9O6 928.192000 |
KRVFHIQAYHUMEO-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM73000
|
Local ready
Direct docking supported
|
|
E3L003444
BDB003444
|
BDBM73001
CC1=NOC(C)C1c1ccc2nc(-c3ccc(N4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c(NC3CCCCC3)n2c1
|
C56H73N9O12 1064.251000 |
NGJLTIBNILMFLW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM73001
|
Local ready
Direct docking supported
|
|
E3L003445
BDB003445
|
BDBM73002
[2H]C([2H])([2H])O[C@H]1CC[C@H](n2c(C3COC(=O)CN3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1
|
C29H30F2N4O4 539.597305 |
ZZZBSUDWKDUABM-DTGXQJAOSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM73002
|
Local ready
Direct docking supported
|
|
E3L003446
BDB003446
|
BDBM73003
CO[C@H]1C[C@@H](n2c([C@@H]3CCOC(=O)N3C3=CC(F)C(F)C=C3)nc3cc(C4C(C)=NOC4C)ccc32)C1
|
C27H30F2N4O4 512.557000 |
WKPAFDBFSPOKOO-OBKVLWLLSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM73003
|
Local ready
Direct docking supported
|
|
E3L003447
BDB003447
|
BDBM73004
CO[C@H]1CC[C@H](n2c([C@@H]3CCOC(=O)N3C3=CC(F)C(F)C=C3)nc3cc(-c4c(C)noc4C)ccc32)CC1
|
C29H32F2N4O4 538.595000 |
WZTFJIBBAWMXHV-WBTJVAPSSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM73004
|
Local ready
Direct docking supported
|
|
E3L003448
BDB003448
|
BDBM73005
CO[C@H]1CC[C@H](n2c([C@@H]3CCOC(=O)N3C3=CC(F)C(Cl)C=C3)nc3cc(C4C(C)=NOC4C)ccc32)CC1
|
C29H34ClFN4O4 557.066000 |
KJZJPROIHXGMNL-VVBJQQMWSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM73005
|
Local ready
Direct docking supported
|
|
E3L003449
BDB003449
|
BDBM73006
CO[C@H]1CC[C@H](n2c([C@@H]3CCOCC(=O)N3C3=CC(F)C(F)C=C3)nc3cc(C4C(C)=NOC4C)ccc32)CC1
|
C30H36F2N4O4 554.638000 |
FKZKKUGBWRQBLE-OQHPVCEKSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM73006
|
Local ready
Direct docking supported
|
|
E3L003450
BDB003450
|
BDBM73007
COc1cccc(-c2nc3cc(C4C(C)=NOC4C)ccc3n2[C@H]2CC[C@H](OC)CC2)c1C1=CC(F)C(F)C=C1
|
C32H35F2N3O3 547.646000 |
IEPIRNIELGILEN-GDICOMATSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM73007
|
Local ready
Direct docking supported
|
|
E3L003451
BDB003451
|
BDBM73008
CCO[C@H]1CC[C@H](n2c([C@@H]3CCOC(=O)N3C3=CC(F)C(F)C=C3)nc3cc(C4C(C)=NOC4C)ccc32)CC1
|
C30H36F2N4O4 554.638000 |
JDIFBBXJGLXQCS-AGSFCBOCSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM73008
|
Local ready
Direct docking supported
|
|
E3L003452
BDB003452
|
BDBM73009
CCO[C@H]1CC[C@H](n2c([C@@H]3CCOC(=O)N3c3ccc(Cl)c(F)c3)nc3cc(C4C(C)=NOC4C)ccc32)CC1
|
C30H34ClFN4O4 569.077000 |
CKTIRJSQPHTIAC-UOLAORCESA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM73009
|
Local ready
Direct docking supported
|
|
E3L003453
BDB003453
|
BDBM73130
COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2c1F
|
C28H25F4N7O 551.548000 |
IWRURNFGWVAPAR-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73130; PubChem:CID178289430
|
Local ready
Direct docking supported
|
|
E3L003454
BDB003454
|
Usp1-IN-13
COc1ncnc(C2CC2)c1-c1ncc2cnn(CC34CCC(c5nc(C(F)(F)F)cn5C(C)C)(CC3)CC4)c2c1F
|
C30H33F4N7O 583.634000 |
WVTRRMYOLOYQOT-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73131; PubChem:CID175683826
|
Local ready
Direct docking supported
|
|
E3L003455
BDB003455
|
BDBM73132
COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2c1F
|
C26H21F4N7O 523.494000 |
AAWTXDBQHXTNDH-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73132; PubChem:CID178289431
|
Local ready
Direct docking supported
|
|
E3L003456
BDB003456
|
BDBM73133
CC(C)n1cc(C(F)(F)F)nc1C12CCC(Cn3ncc4cnc(-c5c(OC(F)F)ncnc5C5CC5)c(F)c43)(CC1)CC2
|
C30H31F6N7O 619.614000 |
IVMCFHYCLWORCN-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB
BindingDB:BDBM73133
|
Local ready
Direct docking supported
|
|
E3L003457
BDB003457
|
BDBM73134
C#CCn1cc(C(F)(F)F)nc1C12CCC(Cn3ncc4cnc(-c5c(OC)ncnc5C5CC5)c(F)c43)(CC1)CC2
|
C30H29F4N7O 579.602000 |
MZNDDBHIYNWATL-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73134; PubChem:CID178289433
|
Local ready
Direct docking supported
|
|
E3L003458
BDB003458
|
BDBM73135
Fc1c(-c2c(OC(F)F)ncnc2C2CC2)ncc2cnn(CC34CCC(c5nc(C(F)(F)F)cn5CC5CC5)(CC3)CC4)c12
|
C31H31F6N7O 631.625000 |
XPZFYBUPMWZPIZ-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB
BindingDB:BDBM73135
|
Local ready
Direct docking supported
|
|
E3L003459
BDB003459
|
BDBM73136
Fc1c(-c2c(OC(F)F)ncnc2C2CC2)ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)c5n4CC4(CC4)C5)cc3)c12
|
C30H23F6N7O 611.550000 |
WUEIOGTVNGDYIM-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB
BindingDB:BDBM73136
|
Local ready
Direct docking supported
|
|
E3L003460
BDB003460
|
BDBM73137
Fc1c(-c2c(OC(F)F)ncnc2C2CC2)ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)c5n4CC(F)(F)C5)cc3)c12
|
C28H19F8N7O 621.492000 |
LRFMADOUNMIPHE-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB
BindingDB:BDBM73137
|
Local ready
Direct docking supported
|