| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003421
BDB003421
|
US20250368640, Example 15
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CC5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)C4=O)c3)c(Cl)c12
|
C36H39ClFN7O3 672.205000 |
RVTAPSGHSAMENX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72268; PubChem:CID176550088
|
Local ready
Direct docking supported
|
|
E3L003422
BDB003422
|
US20250368640, Example 16
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCC5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)C4=O)c3)c(Cl)c12
|
C37H41ClFN7O3 686.232000 |
OFUMGLHRVKJRKB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72269; PubChem:CID176550087
|
Local ready
Direct docking supported
|
|
E3L003423
BDB003423
|
US20250368640, Example 17
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)C4=O)c3)c(Cl)c12
|
C36H40ClN7O3 654.215000 |
IBFRVIKKFXTGLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72270; PubChem:CID178254984
|
Local ready
Direct docking supported
|
|
E3L003424
BDB003424
|
US20250368640, Example 18
CCc1c[nH]c2ncc(-c3cccc(N4CCCN(CCN5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)C4=O)c3)c(Cl)c12
|
C36H40ClFN8O3 687.220000 |
AUDIHXHCFKQFTA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM72273; PubChem:CID178254985
|
Local ready
Direct docking supported
|
|
E3L003425
BDB003425
|
BDBM72275
CCOC(=O)/C=C/C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
|
C21H21NO5 367.401000 |
IAIQVESVEHEGDS-BUHFOSPRSA-N | O15151, Q99728 | Protein Mdm4, BRCA1-associated RING domain protein 1 |
BindingDB, PubChem
BindingDB:BDBM72275; PubChem:CID5889878
|
Local ready
Direct docking supported
|
|
E3L003426
BDB003426
|
BDBM72507
Clc1ccc(/N=c2\ssnc2Cl)nc1
|
C7H3Cl2N3S2 264.162000 |
WMFVRSWPSFMZFZ-XFFZJAGNSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM72507
|
Local ready
Direct docking supported
|
|
E3L003427
BDB003427
|
BDBM72611
CCOC(=O)CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
|
C11H14N4O4S 298.324000 |
WDZPRUYBWRCQBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72611; PubChem:CID737559
|
Local ready
Direct docking supported
|
|
E3L003428
BDB003428
|
BDBM72612
CCOC(=O)CCSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
|
C12H16N4O4S 312.351000 |
RZWVUPOQICYBNR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72612; PubChem:CID155185573
|
Local ready
Direct docking supported
|
|
E3L003429
BDB003429
|
BDBM72613
Cn1c(=O)c2[nH]c(SCC(=O)OC(C)(C)C)nc2n(C)c1=O
|
C13H18N4O4S 326.378000 |
NRHSIVRPKMBJFZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72613; PubChem:CID155704799
|
Local ready
Direct docking supported
|
|
E3L003430
BDB003430
|
BDBM72614
Cn1c(=O)c2[nH]c(SCc3ccccc3)nc2n(C)c1=O
|
C14H14N4O2S 302.359000 |
BDKCWWUFYQKJJF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72614; PubChem:CID253861
|
Local ready
Direct docking supported
|
|
E3L003431
BDB003431
|
BDBM72615
Cn1c(=O)c2[nH]c(SCc3ccc(F)cc3)nc2n(C)c1=O
|
C14H13FN4O2S 320.349000 |
WQVRNIPQWSPEPR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72615; PubChem:CID155185458
|
Local ready
Direct docking supported
|
|
E3L003432
BDB003432
|
BDBM72616
Cn1c(=O)c2[nH]c(SCc3c(Cl)cccc3Cl)nc2n(C)c1=O
|
C14H12Cl2N4O2S 371.249000 |
WAOCXCKQYWMLKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72616; PubChem:CID155185275
|
Local ready
Direct docking supported
|
|
E3L003433
BDB003433
|
BDBM72617
Cc1ccc(CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1
|
C15H16N4O2S 316.386000 |
YVQTYGLVQRNFCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72617; PubChem:CID2147959
|
Local ready
Direct docking supported
|
|
E3L003434
BDB003434
|
BDBM72618
Cn1c(=O)c2[nH]c(SCCN3C(=O)c4ccccc4C3=O)nc2n(C)c1=O
|
C17H15N5O4S 385.405000 |
HMLXOPBSZRKOKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72618; PubChem:CID167133156
|
Local ready
Direct docking supported
|
|
E3L003435
BDB003435
|
BDBM72619
Cn1c(=O)[nH]c2nc(SCCN3CCOCC3)[nH]c2c1=O
|
C12H17N5O3S 311.367000 |
GINZCGGZNGQGDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72619; PubChem:CID155185374
|
Local ready
Direct docking supported
|
|
E3L003436
BDB003436
|
BDBM72620
Cn1c(=S)c2[nH]c(SCCN3CCOCC3)nc2n(C)c1=O
|
C13H19N5O2S2 341.462000 |
XHNSOGDMSSHQFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72620; PubChem:CID4361023
|
Local ready
Direct docking supported
|
|
E3L003437
BDB003437
|
2,6-Dithiouric acid
O=c1[nH]c2[nH]c(=S)[nH]c(=S)c2[nH]1
|
C5H4N4OS2 200.248000 |
SOQYJXVHBQVRDB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72621; PubChem:CID3246111
|
Local ready
Direct docking supported
|
|
E3L003438
BDB003438
|
BDBM72623
Cn1c(=O)c2c(ncn2CCCC(=O)O)n(C)c1=O
|
C11H14N4O4 266.257000 |
KCQMWMWEALWVLJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72623; PubChem:CID104071
|
Local ready
Direct docking supported
|
|
E3L003439
BDB003439
|
BDBM72624
Cn1c(=S)[nH]c2nc(SCCN3CCCC3)[nH]c2c1=O
|
C12H17N5OS2 311.436000 |
UNYSXMUNEROJGW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72624; PubChem:CID155185539
|
Local ready
Direct docking supported
|
|
E3L003440
BDB003440
|
BDBM72625
Cn1c(=O)c2[nH]c(SCCN3CCOCC3)nc2n(C)c1=S
|
C13H19N5O2S2 341.462000 |
OVDZYZANTZBNCJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM72625; PubChem:CID264524
|
Local ready
Direct docking supported
|