| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056601
BDB056601
|
BDBM50446459
COc1ccccc1Nc1cc2[nH]c(-c3cnco3)cc2cn1
|
C17H14N4O2 306.325000 |
OYEYZLGQJNQHMY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446459; PubChem:CID66548458
|
Local ready
Direct docking supported
|
|
E3L056602
BDB056602
|
BDBM50446460
COc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1
|
C17H15N5O 305.341000 |
PSDOGBDKRWOMIK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446460; PubChem:CID68291375
|
Local ready
Direct docking supported
|
|
E3L056603
BDB056603
|
BDBM50446461
COc1cc(C(=O)N(C)C)ccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1
|
C21H22N6O2 390.447000 |
FQJLSYGJDFPYEH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446461; PubChem:CID68290592
|
Local ready
Direct docking supported
|
|
E3L056604
BDB056604
|
BDBM50446462
COc1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)c(Cl)c1
|
C17H14ClN5O 339.786000 |
YJIODQXQURPDDG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446462; PubChem:CID68291028
|
Local ready
Direct docking supported
|
|
E3L056605
BDB056605
|
BDBM50446463
COC1CCN(C(=O)c2ccc(Nc3cc4[nH]c(-c5cnn(C)c5)cc4cn3)c(Cl)c2)CC1
|
C24H25ClN6O2 464.957000 |
QNPBNNMOSUDLRV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446463; PubChem:CID68290875
|
Local ready
Direct docking supported
|
|
E3L056606
BDB056606
|
BDBM50446464
Cn1cc(-c2cc3cnc(Nc4ccc(C(=O)N5CCS(=O)(=O)CC5)cc4Cl)cc3[nH]2)cn1
|
C22H21ClN6O3S 484.969000 |
ZSOGRCABYJFSOS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446464; PubChem:CID68290918
|
Local ready
Direct docking supported
|
|
E3L056607
BDB056607
|
BDBM50446465
CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cnn(C)c4)cc3cn2)c(Cl)c1
|
C19H19ClN6O2S 430.921000 |
SBVOTCXKEQAJJK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446465; PubChem:CID68291099
|
Local ready
Direct docking supported
|
|
E3L056608
BDB056608
|
BDBM50446466
COc1ccc(Nc2cc3[nH]c(-c4cn(C)nc4C(F)(F)F)cc3cn2)c(OC)c1
|
C20H18F3N5O2 417.391000 |
YXZKAOHYFKVRAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446466; PubChem:CID76335739
|
Local ready
Direct docking supported
|
|
E3L056609
BDB056609
|
BDBM50446467
Clc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1
|
C16H12ClN5 309.760000 |
IEZVBDUJVUPHKM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446467; PubChem:CID76313984
|
Local ready
Direct docking supported
|
|
E3L056610
BDB056610
|
BDBM50446468
CCOc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1
|
C18H17N5O 319.368000 |
BEUXYMIIIBPCKC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446468; PubChem:CID66548850
|
Local ready
Direct docking supported
|
|
E3L056611
BDB056611
|
BDBM50446469
COc1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1
|
C17H15N5O 305.341000 |
SXJKXTZFHYHUNX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446469; PubChem:CID68290849
|
Local ready
Direct docking supported
|
|
E3L056612
BDB056612
|
BDBM50446666
O=C1NCCn2c(-c3ccc(OCc4cn(CCF)nn4)cc3)nc3cccc1c32
|
C21H19FN6O2 406.421000 |
ZBSIHFKJTQNTMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50446666; PubChem:CID76335857
|
Local ready
Direct docking supported
|
|
E3L056613
BDB056613
|
BDBM50446667
C#CCOc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1
|
C19H15N3O2 317.348000 |
QAMXXAYIXDVFRX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50446667; PubChem:CID76328542
|
Local ready
Direct docking supported
|
|
E3L056614
BDB056614
|
Parp1-IN-29
O=C1NCCn2c(-c3ccc(OCCF)cc3)nc3cccc1c32
|
C18H16FN3O2 325.343000 |
DUYPGBKQTGXZRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50446668; PubChem:CID76324972
|
Local ready
Direct docking supported
|
|
E3L056615
BDB056615
|
BDBM50446669
NC(=O)c1cccc2[nH]c(-c3ccc(OCc4cn(CCF)nn4)cc3)nc12
|
C19H17FN6O2 380.383000 |
HMAYBNNANSGTEN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50446669; PubChem:CID76314091
|
Local ready
Direct docking supported
|
|
E3L056616
BDB056616
|
2-(4-prop-2-ynoxyphenyl)-1H-benzimidazole-4-carboxamide
C#CCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C17H13N3O2 291.310000 |
NUYAGTXNYLWDAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50446670; PubChem:CID76335856
|
Local ready
Direct docking supported
|
|
E3L056617
BDB056617
|
BDBM50446671
NC(=O)c1cccc2[nH]c(-c3ccc(OCCF)cc3)nc12
|
C16H14FN3O2 299.305000 |
KBFSTBHKIJCWTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50446671; PubChem:CID76324971
|
Local ready
Direct docking supported
|
|
E3L056618
BDB056618
|
BDBM50446982
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
|
C16H16FN9 353.365000 |
QHXBWJSQXSYAGG-VIFPVBQESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446982; PubChem:CID45275255
|
Local ready
Direct docking supported
|
|
E3L056619
BDB056619
|
BDBM50447144
Cc1ccnc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)c1
|
C22H17Cl2N3O 410.304000 |
WTBOEJUBSJEKIB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50447144; PubChem:CID58542929
|
Local ready
Direct docking supported
|
|
E3L056620
BDB056620
|
Narazaciclib
CN1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1
|
C24H27N7O 429.528000 |
VADOZMZXXRBXNY-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50447512; PubChem:CID56649281
|
Local ready
Direct docking supported
|