| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003281
BDB003281
|
BDBM67081
COc1cc(F)c(-c2ccc(N3CCC[C@](N)([C@H](O)C(F)F)C3)c(Cn3cnc4c(N)ncnc43)c2)cc1F
|
C26H27F4N7O2 545.541000 |
RFWMLZMYFYRTDX-ATIYNZHBSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM67081; PubChem:CID170347843
|
Local ready
Direct docking supported
|
|
E3L003282
BDB003282
|
4-Diallylaminomethyl-3-hydroxy-benzo[c]chromen-6-one
C=CCN(CC=C)Cc1c(O)ccc2c1oc(=O)c1ccccc12
|
C20H19NO3 321.376000 |
MHMJKBVYSKCGGB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM67171; PubChem:CID5398511
|
Local ready
Direct docking supported
|
|
E3L003283
BDB003283
|
Coumarin, 3-amino-4-(1-pyrrolidinyl)-
Nc1c(N2CCCC2)c2ccccc2oc1=O
|
C13H14N2O2 230.267000 |
KUMMFXRVHNGDJZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67263; PubChem:CID43001
|
Local ready
Direct docking supported
|
|
E3L003284
BDB003284
|
US12486251, Example 1
CNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)ccc32)n1
|
C24H23N5O 397.482000 |
GCMTYSQPIZKJSY-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67550; PubChem:CID166806605
|
Local ready
Direct docking supported
|
|
E3L003285
BDB003285
|
US12486251, Example 2
CNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C25H23F2N5O 447.489000 |
KKSGFRCZTMODQE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67551; PubChem:CID166806618
|
Local ready
Direct docking supported
|
|
E3L003286
BDB003286
|
US12486251, Example 3
Cn1cc(-c2cc3c(cc2C(F)F)N(c2nc(C(N)=O)cc4ccccc24)CCC3)cn1
|
C24H21F2N5O 433.462000 |
ULMIPFIFTWOJIF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67552; PubChem:CID167524063
|
Local ready
Direct docking supported
|
|
E3L003287
BDB003287
|
US12486251, Example 4
CN(C)C(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C26H25F2N5O 461.516000 |
PXEXNSZBQVXPPA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67553; PubChem:CID167524060
|
Local ready
Direct docking supported
|
|
E3L003288
BDB003288
|
US12486251, Example 5
CCNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C26H25F2N5O 461.516000 |
OCRHTICDXYXTRI-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67554; PubChem:CID167524062
|
Local ready
Direct docking supported
|
|
E3L003289
BDB003289
|
US12486251, Example 6
Cn1cc(-c2cc3c(cc2C(F)F)N(c2nc(C(=O)NCCO)cc4ccccc24)CCC3)cn1
|
C26H25F2N5O2 477.515000 |
IOVKUYYOCFMKPR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67555; PubChem:CID167524071
|
Local ready
Direct docking supported
|
|
E3L003290
BDB003290
|
US12486251, Example 7
CC(O)CNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C27H27F2N5O2 491.542000 |
DCTOPPSLEFMTHE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67556; PubChem:CID167524061
|
Local ready
Direct docking supported
|
|
E3L003291
BDB003291
|
US12486251, Example 8
Cn1cc(-c2cc3c(cc2C(F)F)N(c2nc(C(=O)N4CC(O)C4)cc4ccccc24)CCC3)cn1
|
C27H25F2N5O2 489.526000 |
PQDUQOFWXAYHCU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67557; PubChem:CID167524076
|
Local ready
Direct docking supported
|
|
E3L003292
BDB003292
|
US12486251, Example 9
Cn1cc(-c2cc3c(cc2C(F)F)N(c2nc(C(=O)NC4CC4)cc4ccccc24)CCC3)cn1
|
C27H25F2N5O 473.527000 |
LQQHDZBQJCPVPS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67559; PubChem:CID167524050
|
Local ready
Direct docking supported
|
|
E3L003293
BDB003293
|
US12486251, Example 11
CNC(=O)c1cccc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C21H21F2N5O 397.429000 |
LXROWVXTNDFYSH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67560; PubChem:CID169665792
|
Local ready
Direct docking supported
|
|
E3L003294
BDB003294
|
US12486251, Example 12
CNC(=O)c1nc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)c2ccccc2n1
|
C24H22F2N6O 448.477000 |
WQPYFUGBBMDYPD-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67561; PubChem:CID167524046
|
Local ready
Direct docking supported
|
|
E3L003295
BDB003295
|
US12486251, Example 13
CNC(=O)c1cc2cnccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C24H22F2N6O 448.477000 |
JJLHATNXICBOLG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67562; PubChem:CID167524054
|
Local ready
Direct docking supported
|
|
E3L003296
BDB003296
|
US12486251, Example 14
CNC(=O)c1cc2ccncc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C24H22F2N6O 448.477000 |
YRICCDUSQZYNQW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67563; PubChem:CID167524048
|
Local ready
Direct docking supported
|
|
E3L003297
BDB003297
|
US12486251, Example 15
CNC(=O)c1cc2cccnc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C24H22F2N6O 448.477000 |
KOILPZACHPYQJE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67564; PubChem:CID167524070
|
Local ready
Direct docking supported
|
|
E3L003298
BDB003298
|
US12486251, Example 16
CNC(=O)c1cc2ccc(C3=CCOCC3)cc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C30H29F2N5O2 529.591000 |
VVYWDMCNZRYELR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67565; PubChem:CID167430050
|
Local ready
Direct docking supported
|
|
E3L003299
BDB003299
|
US12486251, Example 17
CNC(=O)c1cc2ccc(C3CCOCC3)cc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C30H31F2N5O2 531.607000 |
ARPTWDJWFZJEPL-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM67566; PubChem:CID166806612
|
Local ready
Direct docking supported
|
|
E3L003300
BDB003300
|
2-N,4-N-diphenylpyrimidine-2,4-diamine
c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1
|
C16H14N4 262.316000 |
GKFFFOLFBJUEFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM67628; PubChem:CID948954
|
Local ready
Direct docking supported
|