| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048841
BDB048841
|
BDBM50218900
CC(=O)ON=C1C(=C2C(=O)Nc3c(F)cccc32)Nc2ccccc21
|
C18H12FN3O3 337.310000 |
LUYOXALQAMSHJK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218900
|
Local ready
Direct docking supported
|
|
E3L048842
BDB048842
|
BDBM50218901
CO/N=C1\C(=C2\C(=O)Nc3c(F)cccc32)Nc2ccccc21
|
C17H12FN3O2 309.300000 |
XUWKWIKADARYAS-SYYABDKXSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218901
|
Local ready
Direct docking supported
|
|
E3L048843
BDB048843
|
BDBM50218902
CO/N=C1\C(=C2\C(=O)Nc3c(Br)cccc32)Nc2ccccc21
|
C17H12BrN3O2 370.206000 |
KADJNIZPPHNUBR-SYYABDKXSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218902
|
Local ready
Direct docking supported
|
|
E3L048844
BDB048844
|
BDBM50218903
CO/N=C1\C(=C2\C(=O)Nc3c(I)cccc32)Nc2ccccc21
|
C17H12IN3O2 417.206000 |
JEKXIPSCEROIJR-SYYABDKXSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50218903
|
Local ready
Direct docking supported
|
|
E3L048845
BDB048845
|
BDBM50220856
O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2ccccc12
|
C22H25N3O 347.462000 |
GNEBUQTZKVXTKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220856; PubChem:CID135495119
|
Local ready
Direct docking supported
|
|
E3L048846
BDB048846
|
BDBM50220857
O=c1[nH]c([C@H]2CC[C@H](N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
|
C25H27N3O 385.511000 |
COEAISAKKLHJPC-MEMLXQNLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50220857
|
Local ready
Direct docking supported
|
|
E3L048847
BDB048847
|
BDBM50220858
O=c1[nH]c(C2=C[C@@H](N3CCC(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12
|
C24H24ClN3O 405.929000 |
WGBZFQJXRNSUNB-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220858; PubChem:CID135800247
|
Local ready
Direct docking supported
|
|
E3L048848
BDB048848
|
BDBM50220859
O=c1[nH]c(C2=C[C@@H](N3CC=C(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12
|
C24H22ClN3O 403.913000 |
JEGFQXAJZIUNBP-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220859; PubChem:CID136104471
|
Local ready
Direct docking supported
|
|
E3L048849
BDB048849
|
BDBM50220860
O=c1[nH]c(C2CCCC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12
|
C25H27N3O 385.511000 |
FSTPASBRYMQDSX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220860; PubChem:CID135486068
|
Local ready
Direct docking supported
|
|
E3L048850
BDB048850
|
BDBM50220861
O=c1[nH]c(C2=CC(N3CCN(c4ccc(Cl)cc4)CC3)CC2)nc2ccccc12
|
C23H23ClN4O 406.917000 |
QNRPIDRJRVEQLF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220861; PubChem:CID136104472
|
Local ready
Direct docking supported
|
|
E3L048851
BDB048851
|
BDBM50220862
O=c1[nH]c(C2=CC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
|
C24H23N3O 369.468000 |
HYCGKBODUXUFQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220862; PubChem:CID135418473
|
Local ready
Direct docking supported
|
|
E3L048852
BDB048852
|
BDBM50220863
Cc1cccc2c(=O)[nH]c(C3=CC(N4CCC(c5ccc(Cl)cc5)CC4)CC3)nc12
|
C25H26ClN3O 419.956000 |
JYFRAWWHTLNOTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220863; PubChem:CID136104473
|
Local ready
Direct docking supported
|
|
E3L048853
BDB048853
|
BDBM50220864
O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2ccccc12
|
C22H22FN3O 363.436000 |
JFSNQOXGPKPECX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220864; PubChem:CID135448200
|
Local ready
Direct docking supported
|
|
E3L048854
BDB048854
|
BDBM50220865
O=c1[nH]c(C2=CC(N3CC=C(c4ccccc4)CC3)CCC2)nc2ccccc12
|
C25H25N3O 383.495000 |
OOOJBZDZBMLXDD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220865; PubChem:CID135530847
|
Local ready
Direct docking supported
|
|
E3L048855
BDB048855
|
BDBM50220866
O=c1[nH]c(C2=C[C@H](N3CC=C(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12
|
C24H22ClN3O 403.913000 |
JEGFQXAJZIUNBP-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220866; PubChem:CID136104474
|
Local ready
Direct docking supported
|
|
E3L048856
BDB048856
|
BDBM50220867
O=c1[nH]c(C2CCC(N3CCC(c4ccccc4)CC3)C2)nc2ccccc12
|
C24H27N3O 373.500000 |
LJIFLONRFXAXBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220867; PubChem:CID136104475
|
Local ready
Direct docking supported
|
|
E3L048857
BDB048857
|
BDBM50220868
O=c1[nH]c(CCCN2CC=C(c3ccc(Cl)cc3)CC2)nc2ccccc12
|
C22H22ClN3O 379.891000 |
ICKHQBFMNJZNAQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220868; PubChem:CID135518296
|
Local ready
Direct docking supported
|
|
E3L048858
BDB048858
|
BDBM50220869
O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2c(Cl)cccc12
|
C22H24ClN3O 381.907000 |
ZUWRJCHNQXZPKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220869; PubChem:CID136104476
|
Local ready
Direct docking supported
|
|
E3L048859
BDB048859
|
BDBM50220870
O=c1[nH]c([C@H]2CC[C@@H](N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
|
C25H27N3O 385.511000 |
COEAISAKKLHJPC-OYRHEFFESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50220870
|
Local ready
Direct docking supported
|
|
E3L048860
BDB048860
|
BDBM50220871
O=c1[nH]c(N2CCC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
|
C24H26N4O 386.499000 |
TYIYEEGUDVBHEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50220871; PubChem:CID135529346
|
Local ready
Direct docking supported
|