| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003341
BDB003341
|
US12486251, Example 55
CNC(=O)c1cc2cccnc2c(N2CCCc3cc(-c4cnn(CC#N)c4)c(C(F)F)cc32)n1
|
C25H21F2N7O 473.487000 |
LPMJWBWKGWJJCB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70221; PubChem:CID166806617
|
Local ready
Direct docking supported
|
|
E3L003342
BDB003342
|
US12486251, Example 56
CNC(=O)Cn1cc(-c2cc3c(cc2C(F)F)N(c2nc(C(=O)NC)cc4cccnc24)CCC3)cn1
|
C26H25F2N7O2 505.529000 |
MFJUKZWDCZCSQC-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70222; PubChem:CID169842963
|
Local ready
Direct docking supported
|
|
E3L003343
BDB003343
|
US12486251, Example 57
CNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(Cl)cc32)n1
|
C24H22ClN5O 431.927000 |
NTBKLLILGBDBLT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70223; PubChem:CID166806613
|
Local ready
Direct docking supported
|
|
E3L003344
BDB003344
|
US12486251, Example 58
CNC(=O)c1cc2ccccc2c(N2CCCC3=CC(C(=O)NC)CC=C32)n1
|
C22H24N4O2 376.460000 |
BQXRAKIDHHFXQR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70224; PubChem:CID178254937
|
Local ready
Direct docking supported
|
|
E3L003345
BDB003345
|
US12486251, Example 59
CNC(=O)C1Cc2ccccc2C(N2CCCc3cc(CO)ccc32)=N1
|
C21H23N3O2 349.434000 |
UAJZBIHOOROSJX-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70225; PubChem:CID178254938
|
Local ready
Direct docking supported
|
|
E3L003346
BDB003346
|
BDBM70398
CCCc1[nH]nc2c1C(c1ccc(OC)c(CSC3=NCCS3)c1)C(C#N)C(=N)O2
|
C21H23N5O2S2 441.582000 |
IQJOJBWASQLVFF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70398; PubChem:CID91897941
|
Local ready
Direct docking supported
|
|
E3L003347
BDB003347
|
US12486251, Example 60
CNC(=O)c1cc2ccccc2c(N2CCOc3cc(-c4cnn(C)c4)ccc32)n1
|
C23H21N5O2 399.454000 |
GGTMWQUABJARET-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70458; PubChem:CID166806611
|
Local ready
Direct docking supported
|
|
E3L003348
BDB003348
|
US12486251, Example 61
CNC(=O)c1cc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)n1)CCC2
|
C24H25F2N5O 437.494000 |
VJOANIGUTPTGCE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70487; PubChem:CID169665701
|
Local ready
Direct docking supported
|
|
E3L003349
BDB003349
|
US12486251, Example 62
CNC(=O)c1cc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)n1)COC2
|
C23H23F2N5O2 439.466000 |
LQPKMNRXBYTROA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70500; PubChem:CID169665793
|
Local ready
Direct docking supported
|
|
E3L003350
BDB003350
|
US12486251, Example 63
CNC(=O)c1cc2ccoc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C23H21F2N5O2 437.450000 |
RJFYFXCFJXZKQS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70506; PubChem:CID169665785
|
Local ready
Direct docking supported
|
|
E3L003351
BDB003351
|
BDBM70514
Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccccc2)o1
|
C11H8N6O3S 304.291000 |
DKEDPTHWDLKTQQ-UHFFFAOYSA-N | O15151, Q99728 | BRCA1-associated RING domain protein 1, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM70514; PubChem:CID890456
|
Local ready
Direct docking supported
|
|
E3L003352
BDB003352
|
US12486251, Example 64
CNC(=O)c1cc2ncccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C24H22F2N6O 448.477000 |
UHYJLPZPIUGGFG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70537; PubChem:CID166806625
|
Local ready
Direct docking supported
|
|
E3L003353
BDB003353
|
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC
|
C17H19N3O2 297.358000 |
IWYBBIVRTFTKFX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70542; PubChem:CID784380
|
Local ready
Direct docking supported
|
|
E3L003354
BDB003354
|
US12486251, Example 65
CNC(=O)c1cc2cccnc2c(N2CCOc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C23H20F2N6O2 450.449000 |
NPTWVCVWCXNIAN-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70547; PubChem:CID166806627
|
Local ready
Direct docking supported
|
|
E3L003355
BDB003355
|
US12486251, Example 66
CNC(=O)c1cc2cccnc2c(N2C=CC3C(=C2)C(c2cnn(C)c2)=NN3C)n1
|
C21H20N8O 400.446000 |
TTZQDOITMOUEES-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70556; PubChem:CID178254939
|
Local ready
Direct docking supported
|
|
E3L003356
BDB003356
|
BDBM70568
CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(c4ccc(F)cc4)CC3)C(=O)c3ccccc3C2=O)cc1
|
C28H25FN4O5S 548.596000 |
DDJAVDROWBVAEH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70568; PubChem:CID4261850
|
Local ready
Direct docking supported
|
|
E3L003357
BDB003357
|
BDBM70604
CCc1ccc(OCC(=O)NN=C2CC(=O)c3ccccc32)cc1
|
C19H18N2O3 322.364000 |
NTCDOWNXPSCQRK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70604; PubChem:CID3641809
|
Local ready
Direct docking supported
|
|
E3L003358
BDB003358
|
BDBM70611
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+](=O)[O-])c1ccc(Br)cc1
|
C18H16BrN3O3 402.248000 |
MAYRVCMDSVVHFK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70611; PubChem:CID3575535
|
Local ready
Direct docking supported
|
|
E3L003359
BDB003359
|
BDBM70620
CCO/C=C1/C(=O)N(C)C(=O)c2cc(OC)ccc21
|
C14H15NO4 261.277000 |
PBKDBLSEJSDHGZ-XYOKQWHBSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70620; PubChem:CID8143087
|
Local ready
Direct docking supported
|
|
E3L003360
BDB003360
|
BDBM70627
COc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
|
C21H17N5O3S 419.466000 |
CBVONXPKGLUAFJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70627; PubChem:CID1214939
|
Local ready
Direct docking supported
|