| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063521
BDB063521
|
PROTAC I-d
CC1(C)CC[C@]2(C(=O)NCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
|
C49H61N5O7 832.055000 |
NOJJELRNFCQZQC-ZGUQAFIRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50620488; PubChem:CID171378587
|
Local ready
Direct docking supported
|
|
E3L063522
BDB063522
|
BDBM50621119
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Br)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H22BrF2N5O5S 610.437000 |
ZQSAQSCGHSOXTE-SUHOFRIBSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50621119; PubChem:CID164767552
|
Local ready
Direct docking supported
|
|
E3L063523
BDB063523
|
BDBM50621121
CCN(C(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1OC)c1ccc2ncsc2c1
|
C25H24ClF2N5O5S 580.013000 |
HZLZEEYJSMJHJF-VLZGJKPMSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50621121; PubChem:CID164767590
|
Local ready
Direct docking supported
|
|
E3L063524
BDB063524
|
WS-383 (free base)
Cc1cc(Sc2nnnn2CCN(C)C)n2nc(SCc3ccc(Cl)cc3)nc2n1
|
C18H20ClN9S2 462.008000 |
MGESDQAAIJOGJA-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50621125; PubChem:CID138319704
|
Local ready
Direct docking supported
|
|
E3L063525
BDB063525
|
BDBM50621188
CC(NC(=O)CNCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O
|
C21H25N3O4 383.448000 |
DQPOBPRAMICVLU-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50621188; PubChem:CID172463034
|
Local ready
Direct docking supported
|
|
E3L063526
BDB063526
|
N-benzyl-2-(benzylamino)acetamide
O=C(CNCc1ccccc1)NCc1ccccc1
|
C16H18N2O 254.333000 |
WHPBAOBBWAFHRE-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50621189; PubChem:CID408045
|
Local ready
Direct docking supported
|
|
E3L063527
BDB063527
|
N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1
|
C18H22N2O3 314.385000 |
RXVZBFSJKBZCTM-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50621190; PubChem:CID10946965
|
Local ready
Direct docking supported
|
|
E3L063528
BDB063528
|
BDBM50621191
O=C(CNCc1ccc(OCc2cccc(Cl)c2)cc1)NCc1ccccc1
|
C23H23ClN2O2 394.902000 |
IEDFCNZXCUMEMQ-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50621191; PubChem:CID172465746
|
Local ready
Direct docking supported
|
|
E3L063529
BDB063529
|
BDBM50621192
Cc1ccccc1Cc1ccc(CNC(=O)[C@@H]2CCCN2)c(F)c1
|
C20H23FN2O 326.415000 |
KOEZDOWMOKWWCW-IBGZPJMESA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50621192; PubChem:CID172452168
|
Local ready
Direct docking supported
|
|
E3L063530
BDB063530
|
BDBM50621193
O=C(CNCc1ccccc1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1
|
C22H26N4O 362.477000 |
NJJOKGWFZQVSMR-HDICACEKSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB
BindingDB:BDBM50621193
|
Local ready
Direct docking supported
|
|
E3L063531
BDB063531
|
BDBM50621194
COc1ccc(CNCC(=O)N[C@H]2CC[C@@H](c3nc4cc(OCCOCCOCCOCCN)ccc4[nH]3)CC2)cc1
|
C31H45N5O6 583.730000 |
LEQTXZGSORDUSS-PLQXJYEYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB
BindingDB:BDBM50621194
|
Local ready
Direct docking supported
|
|
E3L063532
BDB063532
|
(3-(1-Aminoisoquinolin-6-yl)phenyl)boronic acid
Nc1nccc2cc(-c3cccc(B(O)O)c3)ccc12
|
C15H13BN2O2 264.093000 |
CCUGLTODPQTEBR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50621294; PubChem:CID137349137
|
Local ready
Direct docking supported
|
|
E3L063533
BDB063533
|
BDBM50621295
CC1(C)OB(C(N)c2cccc(Cl)c2)OC1(C)C
|
C13H19BClNO2 267.565000 |
SYLJDSUSDMSOKV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50621295; PubChem:CID133682733
|
Local ready
Direct docking supported
|
|
E3L063534
BDB063534
|
BDBM50621296
CC1(C)OB(C(NC(=O)c2cnn(Cc3ccccc3)c2)c2cccc(Cl)c2)OC1(C)C
|
C24H27BClN3O3 451.763000 |
VRPVNXMPAVISSZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50621296; PubChem:CID172440400
|
Local ready
Direct docking supported
|
|
E3L063535
BDB063535
|
BDBM50621297
Cc1ccc(C(NC(=O)c2cnn(Cc3ccccc3)c2)B2OC(C)(C)C(C)(C)O2)c(F)c1
|
C25H29BFN3O3 449.335000 |
FOOYQBFAGIVGFV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50621297; PubChem:CID172463994
|
Local ready
Direct docking supported
|
|
E3L063536
BDB063536
|
BDBM50621298
O=C(NC(B(O)O)c1cccc(Cl)c1)c1cnn(Cc2ccccc2)c1
|
C18H17BClN3O3 369.617000 |
ZXWADSDWEAQLAR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50621298; PubChem:CID172453366
|
Local ready
Direct docking supported
|
|
E3L063537
BDB063537
|
PROTAC NSD3 degrader-1
Cc1cc(CNCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12
|
C56H71FN8O4S 971.301000 |
BOTJARXURVIORK-NOXIQMFQSA-N | Q9BZ95 | Histone-lysine N-methyltransferase NSD3 |
BindingDB, PubChem
BindingDB:BDBM50621394; PubChem:CID168510425
|
Local ready
Direct docking supported
|
|
E3L063538
BDB063538
|
Dihydrouracil
O=C1CCNC(=O)N1
|
C4H6N2O2 114.104000 |
OIVLITBTBDPEFK-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50621579; PubChem:CID649
|
Local ready
Direct docking supported
|
|
E3L063539
BDB063539
|
2-Azetidinone
O=C1CCN1
|
C3H5NO 71.079000 |
MNFORVFSTILPAW-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50621580; PubChem:CID136721
|
Local ready
Direct docking supported
|
|
E3L063540
BDB063540
|
Acetylurea
CC(=O)NC(N)=O
|
C3H6N2O2 102.093000 |
GKRZNOGGALENQJ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50621581; PubChem:CID68956
|
Local ready
Direct docking supported
|