| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003401
BDB003401
|
BDBM71432
COc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1
|
C23H18N2O5S 434.473000 |
BQUUTNOUIXDXTN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71432; PubChem:CID4224502
|
Local ready
Direct docking supported
|
|
E3L003402
BDB003402
|
BDBM71433
Cc1ccc(C)c(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c1
|
C24H20N2O5S2 480.567000 |
BMOQFLLXUWAROU-NJNXFGOHSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71433; PubChem:CID24789788
|
Local ready
Direct docking supported
|
|
E3L003403
BDB003403
|
BDBM71455
COc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1
|
C19H17NO6S2 419.480000 |
WWPDFQGBFIREKS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71455; PubChem:CID2058961
|
Local ready
Direct docking supported
|
|
E3L003404
BDB003404
|
BDBM71467
Cc1cc(C(=O)NN=Cc2c(C)[nH]n(-c3ccccc3)c2=O)[nH]n1
|
C16H16N6O2 324.344000 |
AQHGKOVHWKQVIE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71467; PubChem:CID773129
|
Local ready
Direct docking supported
|
|
E3L003405
BDB003405
|
BDBM71487
COc1ccc(OCc2cc(C(=O)NC3CCOC(C)(C)C3)no2)c2ccccc12
|
C23H26N2O5 410.470000 |
LXHCRNLYOQJFHB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71487; PubChem:CID24817510
|
Local ready
Direct docking supported
|
|
E3L003406
BDB003406
|
BDBM71505
CCc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
|
C24H20N2O5S2 480.567000 |
BVHFEGZKDGKGSM-YYDJUVGSSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71505; PubChem:CID22525634
|
Local ready
Direct docking supported
|
|
E3L003407
BDB003407
|
1-Benzyl-3-(decoxymethyl)benzimidazol-1-ium;chloride
CCCCCCCCCCOCn1c[n+](Cc2ccccc2)c2ccccc21
|
C25H35N2O+ 379.568000 |
STZOUNYUCWCNBI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71524; PubChem:CID3799303
|
Local ready
Direct docking supported
|
|
E3L003408
BDB003408
|
Primaquine
COc1cc(NC(C)CCCN)c2ncccc2c1
|
C15H21N3O 259.353000 |
INDBQLZJXZLFIT-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM71542; PubChem:CID4908
|
Local ready
Direct docking supported
|
|
E3L003409
BDB003409
|
US20250368640, Example 1
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CC(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)C5)C4=O)c3)c(Cl)c12
|
C37H38ClN7O4 680.209000 |
OFBZJXISFYAQER-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72252; PubChem:CID174301119
|
Local ready
Direct docking supported
|
|
E3L003410
BDB003410
|
US20250368640, Example 2
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CC(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)C5)C4=O)c3)c(Cl)c12
|
C37H38ClN7O4 680.209000 |
SEUMAPMHQOQPJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72253; PubChem:CID174301120
|
Local ready
Direct docking supported
|
|
E3L003411
BDB003411
|
US20250368640, Example 3
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CCC(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4=O)c3)c(Cl)c12
|
C39H40ClN7O5 722.246000 |
LTVVZKGLQXKLFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72254; PubChem:CID174301173
|
Local ready
Direct docking supported
|
|
E3L003412
BDB003412
|
US20250368640, Example 4
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CCN(c6ccc7c(N8CCC(=O)NC8=O)cccc7c6)CC5)C4=O)c3)c(Cl)c12
|
C39H41ClN8O3 705.263000 |
SZHUKWBXBJXMBF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72255; PubChem:CID174301174
|
Local ready
Direct docking supported
|
|
E3L003413
BDB003413
|
US20250368640, Example 5
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CC=C(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4=O)c3)c(Cl)c12
|
C39H38ClN7O5 720.230000 |
PXWJBXGYEXFWGV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72257; PubChem:CID174301175
|
Local ready
Direct docking supported
|
|
E3L003414
BDB003414
|
US20250368640, Example 6
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CC(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4=O)c3)c(Cl)c12
|
C37H36ClN7O5 694.192000 |
TVHOEPKOCNGDDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72258; PubChem:CID174301176
|
Local ready
Direct docking supported
|
|
E3L003415
BDB003415
|
US20250368640, Example 7
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CCN(c6cc7c(cc6F)C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C4=O)c3)c(Cl)c12
|
C38H40ClFN8O4 727.241000 |
PCIVNFBLQQJRQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72259; PubChem:CID174301177
|
Local ready
Direct docking supported
|
|
E3L003416
BDB003416
|
PROTAC GSPT1 degrader-2
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4=O)c3)c(Cl)c12
|
C38H38ClN7O5 708.219000 |
RQRVDLHEZAZZNS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72260; PubChem:CID172420089
|
Local ready
Direct docking supported
|
|
E3L003417
BDB003417
|
US20250368640, Example 9
O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(CCN5CCCN(c6cccc(-c7cnc8[nH]cc(C9CC9)c8c7Cl)c6)C5=O)CC4)cc3C2=O)C(=O)N1
|
C40H39ClFN7O5 752.247000 |
BUPUIXDNVLUSRO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72261; PubChem:CID174301178
|
Local ready
Direct docking supported
|
|
E3L003418
BDB003418
|
US20250368640, Example 10
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)N(C)C6=O)C7=O)CC5)C4=O)c3)c(Cl)c12
|
C39H40ClN7O5 722.246000 |
PXWXIUUXRQTGHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72262; PubChem:CID174301180
|
Local ready
Direct docking supported
|
|
E3L003419
BDB003419
|
US20250368640, Example 11
O=C1CCC(N2Cc3ccc(N4CCC(CN5CCCN(c6cccc(-c7cnc8[nH]cc(C9CC9)c8c7Cl)c6)C5=O)CC4)cc3C2=O)C(=O)N1
|
C39H40ClN7O4 706.247000 |
HLHPRHUZHWWUPG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72263; PubChem:CID174301181
|
Local ready
Direct docking supported
|
|
E3L003420
BDB003420
|
US20250368640, Example 13
O=C1CCC(N2Cc3ccc(N4CCC(CN5CCCN(c6cccc(-c7cnc8[nH]cc(CC(F)F)c8c7Cl)c6)C5=O)CC4)cc3C2=O)C(=O)N1
|
C38H38ClF2N7O4 730.216000 |
MOYSHFTWELMSEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72265; PubChem:CID174301188
|
Local ready
Direct docking supported
|