| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003301
BDB003301
|
BDBM67655
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc21
|
C27H36ClN2O3+ 472.049000 |
ABSUVJKECLPASA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM67655; PubChem:CID3800684
|
Local ready
Direct docking supported
|
|
E3L003302
BDB003302
|
Mitoxantrone
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
|
C22H28N4O6 444.488000 |
KKZJGLLVHKMTCM-UHFFFAOYSA-N | P29372 | DNA-3-methyladenine glycosylase |
BindingDB, PubChem
BindingDB:BDBM67690; PubChem:CID4212
|
Local ready
Direct docking supported
|
|
E3L003303
BDB003303
|
BDBM67836
O=C1c2ccccc2C(=O)c2c1oc(C(F)(F)F)c2C(=O)c1ccccc1
|
C20H9F3O4 370.282000 |
ULQVKUHBMBQQPE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM67836; PubChem:CID1207959
|
Local ready
Direct docking supported
|
|
E3L003304
BDB003304
|
US12486251, Example 18
CNC(=O)c1cc2ccc(C3=CCOC3)cc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C29H27F2N5O2 515.564000 |
GRZVAJLMSBSNPH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM68332; PubChem:CID167524069
|
Local ready
Direct docking supported
|
|
E3L003305
BDB003305
|
US12486251, Example 19
CNC(=O)c1cc2ccc(C3CCOC3)cc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C29H29F2N5O2 517.580000 |
PBDPVQFPMJBIDJ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM68333; PubChem:CID167524056
|
Local ready
Direct docking supported
|
|
E3L003306
BDB003306
|
US12486251, Example 20
CNC(=O)c1cc2cc(C3=CCOCC3)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C30H29F2N5O2 529.591000 |
VELFXWDONODCHW-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM68334; PubChem:CID167524035
|
Local ready
Direct docking supported
|
|
E3L003307
BDB003307
|
US12486251, Example 21
CNC(=O)c1cc2cc(C3CCOCC3)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C30H31F2N5O2 531.607000 |
SIRSZRUHCPCCQM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM68335; PubChem:CID167524036
|
Local ready
Direct docking supported
|
|
E3L003308
BDB003308
|
US12486251, Example 22
CNC(=O)c1cc2cc(C3=CCOC3)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C29H27F2N5O2 515.564000 |
MGKWUOVUAOESBU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM68336; PubChem:CID167524055
|
Local ready
Direct docking supported
|
|
E3L003309
BDB003309
|
US12486251, Example 23
CNC(=O)c1cc2cc(C3CCOC3)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C29H29F2N5O2 517.580000 |
GRWJTUYCMQFQIR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM68337; PubChem:CID167524072
|
Local ready
Direct docking supported
|
|
E3L003310
BDB003310
|
US12486251, Example 24
CNC(=O)c1cc2ccc(N3CCOC3=O)cc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C28H26F2N6O3 532.551000 |
DTZHJIZKUUXWDF-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM68338; PubChem:CID166806601
|
Local ready
Direct docking supported
|
|
E3L003311
BDB003311
|
US12486251, Example 25
CNC(=O)c1cc2cc(N3CCOC3=O)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C28H26F2N6O3 532.551000 |
PLOKHNOTINQZET-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70191; PubChem:CID167524053
|
Local ready
Direct docking supported
|
|
E3L003312
BDB003312
|
US12486251, Example 26
CNC(=O)c1cc2cc(N3CCCS3(=O)=O)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C28H28F2N6O3S 566.634000 |
QQDLNXBOGWTBNQ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70192; PubChem:CID169842869
|
Local ready
Direct docking supported
|
|
E3L003313
BDB003313
|
CBP/p300-IN-14
CNC(=O)c1cc2cc(N3CCN(C)CC3=O)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C30H31F2N7O2 559.621000 |
KCXFRDAUFBFNJG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70193; PubChem:CID163198545
|
Local ready
Direct docking supported
|
|
E3L003314
BDB003314
|
US12486251, Example 28
CNC(=O)c1cc2cc(N3CCOCC3=O)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C29H28F2N6O3 546.578000 |
BYRDQANOLQYNCH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70194; PubChem:CID167524068
|
Local ready
Direct docking supported
|
|
E3L003315
BDB003315
|
US12486251, Example 29
CNC(=O)c1cc2cc(C3CCCO3)ccc2c(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
|
C29H29F2N5O2 517.580000 |
ZKNOVOSCADGCSR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70195; PubChem:CID167524034
|
Local ready
Direct docking supported
|
|
E3L003316
BDB003316
|
US12486251, Example 30
CNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cncnc4)c(C(F)F)cc32)n1
|
C25H21F2N5O 445.473000 |
UONLYLNXRZVIIZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70196; PubChem:CID166806600
|
Local ready
Direct docking supported
|
|
E3L003317
BDB003317
|
US12486251, Example 31
CNC(=O)c1cc2ccccc2c(N2CCCc3cc(C4=CCOCC4)c(C(F)F)cc32)n1
|
C26H25F2N3O2 449.501000 |
MYHSVXPVKLESGH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70197; PubChem:CID167524058
|
Local ready
Direct docking supported
|
|
E3L003318
BDB003318
|
US12486251, Example 32
CCn1cc(-c2cc3c(cc2C(F)F)N(c2nc(C(=O)NC)cc4ccccc24)CCC3)cn1
|
C26H25F2N5O 461.516000 |
MUOPKSNBBFXQOT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70198; PubChem:CID167524064
|
Local ready
Direct docking supported
|
|
E3L003319
BDB003319
|
US12486251, Example 33
CNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4cnn(C5CC5)c4)c(C(F)F)cc32)n1
|
C27H25F2N5O 473.527000 |
GUSFYJFANFYUQR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70199; PubChem:CID167524037
|
Local ready
Direct docking supported
|
|
E3L003320
BDB003320
|
US12486251, Example 34
CNC(=O)c1cc2ccccc2c(N2CCCc3cc(-c4ccn(C)n4)c(C(F)F)cc32)n1
|
C25H23F2N5O 447.489000 |
IDLRNIFVSXHIRT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM70200; PubChem:CID167524041
|
Local ready
Direct docking supported
|