| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058521
BDB058521
|
BDBM50511821
CC(C)(C)c1ccc(-c2cc(CNCCCN)sc2-c2ccc(C(C)(C)C)cc2)cc1
|
C28H38N2S 434.693000 |
QVVXIWDKFSKVRG-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50511821; PubChem:CID155540976
|
Local ready
Direct docking supported
|
|
E3L058522
BDB058522
|
BDBM50511822
CC(C)(C)c1ccc(-c2cc(CNCCC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1
|
C32H44N2S 488.785000 |
UTXDPENWIJTCBR-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50511822; PubChem:CID155546490
|
Local ready
Direct docking supported
|
|
E3L058523
BDB058523
|
BDBM50511823
O=C(NCC1CCNCC1)c1cc(-c2ccc(-c3ccoc3)cc2)c(-c2ccc(-c3ccoc3)cc2)s1
|
C31H28N2O3S 508.643000 |
GOZSENVKDRJTND-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50511823; PubChem:CID155563587
|
Local ready
Direct docking supported
|
|
E3L058524
BDB058524
|
BDBM50511824
NCc1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(CN)cc2)cc1
|
C25H32N4S 420.626000 |
ITMNTGSOXHQAAV-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50511824; PubChem:CID155522494
|
Local ready
Direct docking supported
|
|
E3L058525
BDB058525
|
Bay 10-00394
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F
|
C18H21F3N4O3S 430.452000 |
UELYDGOOJPRWGF-MFOHZAOFSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50511926; PubChem:CID45380979
|
Local ready
Direct docking supported
|
|
E3L058526
BDB058526
|
Srpkin-1
CCc1cc2c(cc1-c1cccc(S(=O)(=O)F)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C27H21FN2O3S 472.541000 |
TWKWEBMGDALHPN-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50512854; PubChem:CID135324340
|
Local ready
Direct docking supported
|
|
E3L058527
BDB058527
|
BDBM50512888
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccc(F)cc2)n1
|
C29H32F2N6O5S 614.675000 |
NUQBJGMKSYEDBZ-LGIRGXTLSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50512888
|
Local ready
Direct docking supported
|
|
E3L058528
BDB058528
|
BDBM50512889
CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@H]3CCOc4ccccc43)CN2C1
|
C31H45F2N5O5 605.727000 |
WQLHYSFOEZZZDD-CFXQRFIISA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50512889
|
Local ready
Direct docking supported
|
|
E3L058529
BDB058529
|
BDBM50512890
CN[C@@H](C)C(=O)NC1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
|
C62H84N14O6 1121.446000 |
LGYDZXNSSLRFJS-QLMTVHTDSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50512890
|
Local ready
Direct docking supported
|
|
E3L058530
BDB058530
|
BDBM50512891
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C1CCCCC1
|
C27H40N4O3 468.642000 |
NJUHOYLCAHNNLJ-IMNFJDCFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50512891; PubChem:CID155527521
|
Local ready
Direct docking supported
|
|
E3L058531
BDB058531
|
BDBM50512892
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H](Oc2ccccc2)[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C(C)(C)C
|
C31H42N4O4 534.701000 |
SDDMSHTWVZCZTR-XZBVMJHXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50512892; PubChem:CID155528030
|
Local ready
Direct docking supported
|
|
E3L058532
BDB058532
|
BDBM50512893
CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@H]2Cc3cc(Cl)ccc3N2C[C@H]1C(=O)N[C@H]1CCOc2ccccc21)C1CCCCC1
|
C34H44ClN5O4 622.210000 |
XDBOAVJEQWZFNY-BJFXKAOASA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50512893
|
Local ready
Direct docking supported
|
|
E3L058533
BDB058533
|
BDBM50512894
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1)C(C)OCC#CC#CCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1
|
C46H60N14O6S2 969.212000 |
CDUYVSXKBIKUNH-XLRVQWQSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50512894
|
Local ready
Direct docking supported
|
|
E3L058534
BDB058534
|
BDBM50512895
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(Cc4ccccc4)nn3)N2C1=O
|
C31H39N7O3 557.699000 |
PQQUWWCKZXWSKC-JSTXPWCMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50512895
|
Local ready
Direct docking supported
|
|
E3L058535
BDB058535
|
BDBM50512954
CN1C[C@H](Nc2nc3cc[nH]c3c(=O)n2C)C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C1
|
C20H21ClF3N5O 439.869000 |
POPPPIOICRXWNP-QWHCGFSZSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50512954; PubChem:CID155544332
|
Local ready
Direct docking supported
|
|
E3L058536
BDB058536
|
BDBM50512955
Cn1nc(C(=O)N[C@H]2CC[C@H](C)CC2)c2ccccc2c1=O
|
C17H21N3O2 299.374000 |
MSPGMYBZWHAEQM-HAQNSBGRSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM50512955
|
Local ready
Direct docking supported
|
|
E3L058537
BDB058537
|
BDBM50512956
CC=CCn1c(N[C@@H]2C[C@H](c3ccccc3)CN(C)C2)nc2cc[nH]c2c1=O
|
C22H27N5O 377.492000 |
DZEMHKGWRFWUEY-ZWKOTPCHSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50512956; PubChem:CID155512886
|
Local ready
Direct docking supported
|
|
E3L058538
BDB058538
|
BDBM50512957
Cn1c(N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nc2cc[nH]c2c1=O
|
C21H25N5O 363.465000 |
DPPPEDJFLKEXSB-OSYLJGHBSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB
BindingDB:BDBM50512957
|
Local ready
Direct docking supported
|
|
E3L058539
BDB058539
|
BDBM50512958
CN1C[C@H](Nc2nc3cc[nH]c3c(=O)n2C)C[C@H](c2ccc(OC(F)(F)F)cc2)C1
|
C20H22F3N5O2 421.423000 |
GKIIOLVMXQWUTJ-UONOGXRCSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50512958; PubChem:CID155513683
|
Local ready
Direct docking supported
|
|
E3L058540
BDB058540
|
BDBM50512959
CCCCc1ccc([C@H]2C[C@@H](Nc3nc4cc[nH]c4c(=O)n3C)CN(C)C2)cc1
|
C23H31N5O 393.535000 |
UQXYUSOVVAUCIZ-RBUKOAKNSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50512959; PubChem:CID155523768
|
Local ready
Direct docking supported
|