| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063641
BDB063641
|
BDBM50622677
COc1ccc2c(c1)CCCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4F)c3=O)noc1-2
|
C25H23FN4O4 462.481000 |
XAGYXKQSLBBSDU-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50622677; PubChem:CID118514689
|
Local ready
Direct docking supported
|
|
E3L063642
BDB063642
|
BDBM50622678
COc1ccc(-c2onc(C(=O)Nc3c(C)n(C)n(-c4ccccc4F)c3=O)c2C)c(C)c1
|
C24H23FN4O4 450.470000 |
PUEGOUZDMYDGCG-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50622678; PubChem:CID118514750
|
Local ready
Direct docking supported
|
|
E3L063643
BDB063643
|
BDBM50622679
COc1ccc(-c2onc(C(=O)Nc3c(C)n(C)n(-c4ccccc4F)c3=O)c2C)cc1
|
C23H21FN4O4 436.443000 |
JLMNMARWXFCWNB-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50622679; PubChem:CID118514708
|
Local ready
Direct docking supported
|
|
E3L063644
BDB063644
|
BDBM50622680
Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(Cl)cc1
|
C22H18ClFN4O3 440.862000 |
IOBYKZACPKXEGW-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50622680; PubChem:CID118514700
|
Local ready
Direct docking supported
|
|
E3L063645
BDB063645
|
BDBM50622681
Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(Cl)cc1Cl
|
C22H17Cl2FN4O3 475.307000 |
BHATUIDLPOPYQD-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50622681; PubChem:CID118514655
|
Local ready
Direct docking supported
|
|
E3L063646
BDB063646
|
BDBM50622682
Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1cc(Cl)ccc1Cl
|
C22H17Cl2FN4O3 475.307000 |
FBYHCALGSCZPPK-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50622682; PubChem:CID118514765
|
Local ready
Direct docking supported
|
|
E3L063647
BDB063647
|
BDBM50622683
Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(Cl)cc1F
|
C22H17ClF2N4O3 458.852000 |
FVQOEFCQCLPHPB-UHFFFAOYSA-N | Q9HCE7 | E3 ubiquitin-protein ligase SMURF1 |
BindingDB, PubChem
BindingDB:BDBM50622683; PubChem:CID172463937
|
Local ready
Direct docking supported
|
|
E3L063648
BDB063648
|
BDBM50622684
Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)noc1-c1ccc(C2CC2)cc1Cl
|
C25H22ClFN4O3 480.927000 |
YCHGQICUQDEGMP-UHFFFAOYSA-N | Q9HAU4, Q9HCE7 | E3 ubiquitin-protein ligase SMURF1, E3 ubiquitin-protein ligase SMURF2 |
BindingDB, PubChem
BindingDB:BDBM50622684; PubChem:CID118514742
|
Local ready
Direct docking supported
|
|
E3L063649
BDB063649
|
BDBM50622685
Cc1c(C(=O)O)noc1-c1ccc(C2CC2)cc1Cl
|
C14H12ClNO3 277.707000 |
SQMMXIUYYWRDSF-UHFFFAOYSA-N | Q9HAU4 | E3 ubiquitin-protein ligase SMURF2 |
BindingDB, PubChem
BindingDB:BDBM50622685; PubChem:CID118514707
|
Local ready
Direct docking supported
|
|
E3L063650
BDB063650
|
BDBM50622722
C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)[C@H]3/C(=C(/O)CC/C=C/C)C(=O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O
|
C28H34O8 498.572000 |
GIJWJFWVAZHKAW-RVPKNCRTSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50622722
|
Local ready
Direct docking supported
|
|
E3L063651
BDB063651
|
Trichodimerol
C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)[C@H]3\C(=C(O)/C=C/C=C/C)C(=O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O
|
C28H32O8 496.556000 |
OFOUJHGWJJEVMF-SZJYFORJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50622723; PubChem:CID21778326
|
Local ready
Direct docking supported
|
|
E3L063652
BDB063652
|
BDBM50622938
CCOCCNC(=O)CCn1cc(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C33H37N7O3 579.705000 |
NDDVZNYJQMPVQV-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50622938; PubChem:CID172470420
|
Local ready
Direct docking supported
|
|
E3L063653
BDB063653
|
BDBM50622939
CCOCCNC(=O)CCCn1cc(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C34H39N7O3 593.732000 |
UUBQZFNUDYWDBS-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50622939; PubChem:CID172446164
|
Local ready
Direct docking supported
|
|
E3L063654
BDB063654
|
BDBM50622940
COCCNC(=O)CCCCn1cc(-c2ccc(NC(=O)C(NCC(C)c3ccc(C#N)cc3)c3ccccc3)nc2)cn1
|
C34H39N7O3 593.732000 |
CGAKHHWLIFYGNQ-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50622940; PubChem:CID172449772
|
Local ready
Direct docking supported
|
|
E3L063655
BDB063655
|
BDBM50623070
CC1(COc2ccc(/C=C3/SC(O)=NC3=O)cc2)CCCCC1
|
C18H21NO3S 331.437000 |
NOLSQKHQZWSPLG-RVDMUPIBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50623070; PubChem:CID87224586
|
Local ready
Direct docking supported
|
|
E3L063656
BDB063656
|
BDBM50623382
CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C43H46N10O9 846.902000 |
YNNBDJQWDDDBRU-OAMJFVEXSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50623382
|
Local ready
Direct docking supported
|
|
E3L063657
BDB063657
|
BDBM50623485
Cc1[nH]c(-c2cccc(N)c2)c2c1C(=O)CCCC2
|
C16H18N2O 254.333000 |
FRCOUOQCUILHQF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50623485; PubChem:CID162394695
|
Local ready
Direct docking supported
|
|
E3L063658
BDB063658
|
Bromodomain IN-2
Cc1[nH]c(-c2cc(N)ccc2Cl)c2c1C(=O)CCCC2
|
C16H17ClN2O 288.778000 |
DGJREYHVQYZTEV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50623486; PubChem:CID162395897
|
Local ready
Direct docking supported
|
|
E3L063659
BDB063659
|
4-acetyl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
CNC(=O)c1[nH]c(C)c(C(C)=O)c1C
|
C10H14N2O2 194.234000 |
UXYNJKNKJJNWOW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50623489; PubChem:CID40234005
|
Local ready
Direct docking supported
|
|
E3L063660
BDB063660
|
2-[[3-[(4-Chlorobenzoyl)amino]phenyl]methoxy]benzamide
NC(=O)c1ccccc1OCc1cccc(NC(=O)c2ccc(Cl)cc2)c1
|
C21H17ClN2O3 380.831000 |
PNRISLRFARDPOP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50623714; PubChem:CID171062569
|
Local ready
Direct docking supported
|