| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058221
BDB058221
|
BDBM50505536
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
|
C110H148N28O26S 2310.631000 |
RFAFJUFKTGGXCF-XITBQJDTSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505536; PubChem:CID155566927
|
Local ready
Direct docking supported
|
|
E3L058222
BDB058222
|
BDBM50505537
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
|
C107H150N28O25S 2260.615000 |
RYKRDOLFONRYHQ-SOAOPDLZSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505537; PubChem:CID155551805
|
Local ready
Direct docking supported
|
|
E3L058223
BDB058223
|
BDBM50505538
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C
|
C90H143N23O23 1915.272000 |
YLXIKAKDQSWEGD-OTCGJLJRSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505538; PubChem:CID155527361
|
Local ready
Direct docking supported
|
|
E3L058224
BDB058224
|
BDBM50505539
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)O
|
C99H163N29O23 2127.573000 |
DUNKHGAACNCRBW-JOSNSTMLSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505539; PubChem:CID155533014
|
Local ready
Direct docking supported
|
|
E3L058225
BDB058225
|
BDBM50505540
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
|
C108H151N25O26 2215.545000 |
MXASQUJUVLZJQN-MUTHEXAPSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505540; PubChem:CID155551082
|
Local ready
Direct docking supported
|
|
E3L058226
BDB058226
|
BDBM50505541
CO[C@@H]1[C@H](NCCOCCOCCOCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C49H54BF2N7O7 901.821000 |
NXSJMRCTGYTSTK-SQHKIPTKSA-N | O14965, P51617, P51948 | Cyclin-H, Aurora kinase A, Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50505541
|
Local ready
Direct docking supported
|
|
E3L058227
BDB058227
|
BDBM50505542
CO[C@@H]1[C@H](N(C)CCOCCOCCOCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C50H56BF2N7O7 915.848000 |
OSVUGUHRKMMBSE-INMRTLOZSA-N | O14965, P51617, P51948 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Cyclin-H |
BindingDB
BindingDB:BDBM50505542
|
Local ready
Direct docking supported
|
|
E3L058228
BDB058228
|
BDBM50505629
O=C1CCC(N2Cc3c(CCCCCNC(=O)c4ccc(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)Nc7cc(Cl)ccc76)[C@H]5c5cccc(Cl)c5F)cc4)cccc3C2=O)C(=O)N1
|
C48H47Cl2FN6O6 893.844000 |
RRSNDVCODIMOFX-MPKOGUQCSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50505629
|
Local ready
Direct docking supported
|
|
E3L058229
BDB058229
|
BDBM50505630
O=C1CCC(N2Cc3c(CCCCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4ccccc4)cccc3C2=O)C(=O)N1
|
C41H44ClN5O5 722.286000 |
WWLNINGKWIULEZ-UWGISFBZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50505630
|
Local ready
Direct docking supported
|
|
E3L058230
BDB058230
|
BDBM50505631
O=C1CCC(N2Cc3c(CCCCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6ccccc65)[C@H]4c4ccccc4)cccc3C2=O)C(=O)N1
|
C41H45N5O5 687.841000 |
CBIIRFKVIVUUEB-UWGISFBZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50505631
|
Local ready
Direct docking supported
|
|
E3L058231
BDB058231
|
BDBM50505632
O=C1CCC(N2Cc3c(CCCCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6ccccc65)[C@H]4c4ccccc4F)cccc3C2=O)C(=O)N1
|
C41H44FN5O5 705.831000 |
LSFWVOZBFFYVRK-UWGISFBZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50505632
|
Local ready
Direct docking supported
|
|
E3L058232
BDB058232
|
BDBM50505741
COC(=O)N1CCN(C2CCC(Nc3ncnc4ccc(C#N)cc34)CC2)CC1
|
C21H26N6O2 394.479000 |
YCFRZMCRPHNZOC-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50505741; PubChem:CID139582016
|
Local ready
Direct docking supported
|
|
E3L058233
BDB058233
|
Irak4-IN-6
COC(=O)N1CCN(C2CCC(Nc3nc(Nc4cnn(C)c4)nc4ccc(CC#N)nc34)CC2)CC1
|
C25H32N10O2 504.599000 |
RPGMSHCJIWHISY-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50505743; PubChem:CID139582017
|
Local ready
Direct docking supported
|
|
E3L058234
BDB058234
|
6-Methyl-1,3,8-trichlorodibenzofuran
Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c12
|
C13H7Cl3O 285.557000 |
RPMARRQIRRJWEZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50506038; PubChem:CID114900
|
Local ready
Direct docking supported
|
|
E3L058235
BDB058235
|
10-Cl-BBQ
O=c1c2cccc3cccc(c32)c2nc3ccc(Cl)cc3n12
|
C18H9ClN2O 304.736000 |
ZJESJVGSDQOZAT-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50506040; PubChem:CID1778614
|
Local ready
Direct docking supported
|
|
E3L058236
BDB058236
|
Kynurenine
Nc1ccccc1C(=O)C[C@H](N)C(=O)O
|
C10H12N2O3 208.217000 |
YGPSJZOEDVAXAB-QMMMGPOBSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50506041; PubChem:CID161166
|
Local ready
Direct docking supported
|
|
E3L058237
BDB058237
|
BDBM50506363
CNC(=O)Nc1ccc2c(c1)CC[C@@]21NC(=O)N(CC(=O)N2Cc3cc(F)ccc3OC[C@H]2C(F)(F)F)C1=O
|
C25H23F4N5O5 549.481000 |
AOZHPFGTZLPFKJ-YADARESESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50506363
|
Local ready
Direct docking supported
|
|
E3L058238
BDB058238
|
BDBM50506364
CCC[C@@H]1CCc2ccccc2CN1C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)NC)ccc32)C1=O
|
C28H32N4O5 504.587000 |
IDOMLNQOKJRZNQ-SKCUWOTOSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50506364; PubChem:CID146205061
|
Local ready
Direct docking supported
|
|
E3L058239
BDB058239
|
BDBM50506365
Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)cc1Cl
|
C18H13ClN2O3S 372.833000 |
AYNCXNUUERDREH-FMDPHQNASA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50506365; PubChem:CID1797299
|
Local ready
Direct docking supported
|
|
E3L058240
BDB058240
|
CBP/p300-IN-15
CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CC[C@H]2C)C1=O
|
C26H28N4O5 476.533000 |
VDINOEOOUILKFN-AKJBCIBTSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50506366; PubChem:CID146204995
|
Local ready
Direct docking supported
|