| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061381
BDB061381
|
BDBM50581214
Cc1nc(-c2ccc3c(c2)OCO3)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C19H15N5O2 345.362000 |
CEFPPDKMUCDGCU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581214; PubChem:CID166628955
|
Local ready
Direct docking supported
|
|
E3L061382
BDB061382
|
BDBM50581227
COc1nc(C)nc2[nH]cc(-c3ccncc3)c12
|
C13H12N4O 240.266000 |
MSJVVYBVCYREFU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581227; PubChem:CID135283832
|
Local ready
Direct docking supported
|
|
E3L061383
BDB061383
|
BDBM50581228
COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12
|
C13H13N5O 255.281000 |
MOYYMSNZEWQWQJ-UHFFFAOYSA-N | O14965, Q92630 | Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581228; PubChem:CID166627869
|
Local ready
Direct docking supported
|
|
E3L061384
BDB061384
|
BDBM50581229
COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12
|
C14H14N4O 254.293000 |
SOHWYEVCBPDAIO-UHFFFAOYSA-N | O14965, Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581229; PubChem:CID166633756
|
Local ready
Direct docking supported
|
|
E3L061385
BDB061385
|
BDBM50581233
Cc1nc(OCc2ccsc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C17H15N5OS 337.408000 |
BWRQNVDGLTUELI-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581233; PubChem:CID135336127
|
Local ready
Direct docking supported
|
|
E3L061386
BDB061386
|
BDBM50581234
Cc1nc(OCc2cc(C)on2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C17H16N6O2 336.355000 |
CIJWGWNHXQYIJC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581234; PubChem:CID166635400
|
Local ready
Direct docking supported
|
|
E3L061387
BDB061387
|
BDBM50581236
Cc1nc(OCc2cncs2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C16H14N6OS 338.396000 |
UBGUCDLLEIGHHP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581236; PubChem:CID166634371
|
Local ready
Direct docking supported
|
|
E3L061388
BDB061388
|
BDBM50581237
Cc1nc(OCc2ccccc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C19H17N5O 331.379000 |
MLAPBLMPGXKRBF-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581237; PubChem:CID166627623
|
Local ready
Direct docking supported
|
|
E3L061389
BDB061389
|
BDBM50581238
Cc1nc(NCc2ccccc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C19H18N6 330.395000 |
PEXTWZUAIQCVBB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581238; PubChem:CID135283795
|
Local ready
Direct docking supported
|
|
E3L061390
BDB061390
|
BDBM50581239
Cc1nc(NCc2cccs2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C17H16N6S 336.424000 |
KJCRALOGJOLXCU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581239; PubChem:CID166629551
|
Local ready
Direct docking supported
|
|
E3L061391
BDB061391
|
BDBM50581240
Cc1nc(NCc2ccsc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C17H16N6S 336.424000 |
KRWCFCQJKXIENS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581240; PubChem:CID166629640
|
Local ready
Direct docking supported
|
|
E3L061392
BDB061392
|
BDBM50581241
Cc1nc(NCc2ccoc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C17H16N6O 320.356000 |
FWFWXUJORMCFKY-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581241; PubChem:CID166634739
|
Local ready
Direct docking supported
|
|
E3L061393
BDB061393
|
BDBM50581587
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C36H47N5O5S 661.869000 |
XYTALHFWBAQWAE-ZLWRCJDJSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581587
|
Local ready
Direct docking supported
|
|
E3L061394
BDB061394
|
BDBM50581588
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C36H46N4O6S 662.853000 |
BUZJFVUBUJBNKW-ZLWRCJDJSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581588
|
Local ready
Direct docking supported
|
|
E3L061395
BDB061395
|
BDBM50581589
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C39H53N5O8S 751.947000 |
VOMGDZRZNVKQGQ-FFTPJAJHSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581589
|
Local ready
Direct docking supported
|
|
E3L061396
BDB061396
|
BDBM50581590
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C39H52N4O9S 752.931000 |
XXVSHPGBQNYWRM-FFTPJAJHSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581590
|
Local ready
Direct docking supported
|
|
E3L061397
BDB061397
|
BDBM50581591
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C35H45N5O6S 663.841000 |
BIXDUDQNDKWNBV-BJUSWJRTSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581591
|
Local ready
Direct docking supported
|
|
E3L061398
BDB061398
|
BDBM50581592
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C37H49N5O7S 707.894000 |
ICMBHYKAABXGPK-LMGJUQTBSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581592
|
Local ready
Direct docking supported
|
|
E3L061399
BDB061399
|
BDBM50581593
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C35H44N4O7S 664.825000 |
VLRHWDSXIBUELI-BJUSWJRTSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581593
|
Local ready
Direct docking supported
|
|
E3L061400
BDB061400
|
BDBM50581594
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C37H48N4O8S 708.878000 |
XMZXYYOAYXMTKR-LMGJUQTBSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB
BindingDB:BDBM50581594
|
Local ready
Direct docking supported
|