| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056401
BDB056401
|
BDBM50442800
O=c1nc2n(-c3ccc(Cl)cc3)c3c(Cl)cccc3cc-2c(=O)[nH]1
|
C17H9Cl2N3O2 358.184000 |
CRIJYCLTRQPCGQ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50442800; PubChem:CID73355683
|
Local ready
Direct docking supported
|
|
E3L056402
BDB056402
|
BDBM50442801
O=c1nc2n(-c3ccc(Cl)cc3)c3cccc(Cl)c3cc-2c(=O)[nH]1
|
C17H9Cl2N3O2 358.184000 |
HNMRXJZYGHPHMZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50442801; PubChem:CID1883338
|
Local ready
Direct docking supported
|
|
E3L056403
BDB056403
|
BDBM50442802
O=c1nc2n(-c3ccccc3F)c3ccc(Cl)cc3cc-2c(=O)[nH]1
|
C17H9ClFN3O2 341.729000 |
JCQRDHZYTHADIZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50442802; PubChem:CID72697857
|
Local ready
Direct docking supported
|
|
E3L056404
BDB056404
|
Acetyl Isogambogic Acid
CC(=O)Oc1c2c(c(CC=C(C)C)c3c1C(=O)C1=C[C@@H]4CC5C(C)(C)OC(C/C=C(\C)C(=O)O)(C4=O)[C@@]15O3)OC(C)(CCC=C(C)C)C=C2
|
C40H46O9 670.799000 |
REDMIYQFNIRTDF-AKZXAPPFSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50442907; PubChem:CID6857789
|
Local ready
Direct docking supported
|
|
E3L056405
BDB056405
|
BDBM50443230
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)c(Cl)c1O
|
C18H16ClN5O3S 417.878000 |
NPQKWPKFRWMJFA-UHFFFAOYSA-N | Q12830, Q92793 | Nucleosome-remodeling factor subunit BPTF, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50443230; PubChem:CID136226511
|
Local ready
Direct docking supported
|
|
E3L056406
BDB056406
|
BDBM50443231
Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)c(C)c1O
|
C19H19N5O3S 397.460000 |
PJXWUXARDBIOKJ-GHVJWSGMSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50443231
|
Local ready
Direct docking supported
|
|
E3L056407
BDB056407
|
BDBM50443232
Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)cc1O
|
C18H17N5O3S 383.433000 |
DZTGIRNXWSZBIM-QURGRASLSA-N | Q12830, Q92793, Q92831 | CREB-binding protein, Histone acetyltransferase KAT2B, Nucleosome-remodeling factor subunit BPTF |
BindingDB
BindingDB:BDBM50443232
|
Local ready
Direct docking supported
|
|
E3L056408
BDB056408
|
BDBM50443233
Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C)c1O
|
C19H18N4O3S 382.445000 |
UPZISPNEBVCTRN-QURGRASLSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50443233
|
Local ready
Direct docking supported
|
|
E3L056409
BDB056409
|
Ischemin
Cc1cc(N=Nc2cc(S(=O)(=O)O)c(C)cc2C)c(N)cc1O
|
C15H17N3O4S 335.385000 |
UUECJWRVDTUDCB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50443249; PubChem:CID135566302
|
Local ready
Direct docking supported
|
|
E3L056410
BDB056410
|
BDBM50443492
CC(=O)NC[C@@H]1CCN(c2c(Cl)cnc3nc(-c4cn(C)nc4C)[nH]c23)C1
|
C18H22ClN7O 387.875000 |
KLKOJHYRAITDCX-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443492; PubChem:CID71816173
|
Local ready
Direct docking supported
|
|
E3L056411
BDB056411
|
BDBM50443493
CC(=O)N[C@@H]1CCN(c2c(Cl)cnc3nc(-c4cn(C)nc4C)[nH]c23)C1
|
C17H20ClN7O 373.848000 |
XDTMWNUVKUHOQV-LLVKDONJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443493; PubChem:CID72737597
|
Local ready
Direct docking supported
|
|
E3L056412
BDB056412
|
BDBM50443494
CC(=O)N[C@H]1CCN(c2c(Cl)cnc3nc(-c4cn(C)nc4C)[nH]c23)C1
|
C17H20ClN7O 373.848000 |
XDTMWNUVKUHOQV-NSHDSACASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443494; PubChem:CID71816174
|
Local ready
Direct docking supported
|
|
E3L056413
BDB056413
|
BDBM50443495
COc1ccc(-c2[nH]c3ncc(Cl)cc3c2-c2cccc(CNC(C)=O)c2)cc1
|
C23H20ClN3O2 405.885000 |
BMJSEYJIDYDZSX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443495; PubChem:CID72737421
|
Local ready
Direct docking supported
|
|
E3L056414
BDB056414
|
BDBM50443496
CC(=O)NCc1cccc(-c2c(-c3cnn(C)c3)[nH]c3ncc(Cl)cc23)c1
|
C20H18ClN5O 379.851000 |
DPEWXXLKQMQEFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443496; PubChem:CID72737420
|
Local ready
Direct docking supported
|
|
E3L056415
BDB056415
|
BDBM50443497
COc1ccc(-c2[nH]c3ncc(Cl)cc3c2-c2cccc(CNS(C)(=O)=O)c2)cc1
|
C22H20ClN3O3S 441.940000 |
WLFSRGQMGIETKN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443497; PubChem:CID72737419
|
Local ready
Direct docking supported
|
|
E3L056416
BDB056416
|
BDBM50443498
Cn1cc(-c2[nH]c3ncc(Cl)cc3c2-c2cccc(CNS(C)(=O)=O)c2)cn1
|
C19H18ClN5O2S 415.906000 |
QQOUQSHLYUUNAH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443498; PubChem:CID72737418
|
Local ready
Direct docking supported
|
|
E3L056417
BDB056417
|
BDBM50443499
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)NC4CCC4)cc3)c2[nH]1
|
C22H21ClN6O2 436.903000 |
WHIMJTFHOFINSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443499; PubChem:CID72735248
|
Local ready
Direct docking supported
|
|
E3L056418
BDB056418
|
BDBM50443500
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)Nc4ccccc4)cc3)c2[nH]1
|
C24H19ClN6O2 458.909000 |
CNHCGAFMYXVVCT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443500; PubChem:CID72734886
|
Local ready
Direct docking supported
|
|
E3L056419
BDB056419
|
BDBM50443501
Cc1cc(NC(=O)c2ccc(Oc3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)cc2)on1
|
C22H18ClN7O3 463.885000 |
AFWWHBTVEBALQB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443501; PubChem:CID72735062
|
Local ready
Direct docking supported
|
|
E3L056420
BDB056420
|
BDBM50443502
Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(C(=O)Nc4cccnc4)cc3)c2[nH]1
|
C23H18ClN7O2 459.897000 |
QRBCCMOBWXTBEW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50443502; PubChem:CID72735064
|
Local ready
Direct docking supported
|