| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053441
BDB053441
|
BDBM50347768
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCO
|
C14H15N3O4 289.291000 |
LATJGQBXCNBXAP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347768
|
Local ready
Direct docking supported
|
|
E3L053442
BDB053442
|
BDBM50347769
COCCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C
|
C15H17N3O4 303.318000 |
AWHBOWPNZZVSPD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347769
|
Local ready
Direct docking supported
|
|
E3L053443
BDB053443
|
BDBM50347770
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCCO
|
C15H17N3O4 303.318000 |
DXSGRMSWVFDIRT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347770
|
Local ready
Direct docking supported
|
|
E3L053444
BDB053444
|
BDBM50347771
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCCCCO
|
C17H21N3O4 331.372000 |
DDMNOPXTRPXXIY-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347771
|
Local ready
Direct docking supported
|
|
E3L053445
BDB053445
|
BDBM50347772
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCN1CCOCC1
|
C18H22N4O4 358.398000 |
XWMJILWGGGHVMC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347772
|
Local ready
Direct docking supported
|
|
E3L053446
BDB053446
|
BDBM50347774
CC(=O)NC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C
|
C14H13N3O4 287.275000 |
ALNRNLPKRKHAJQ-YHYXMXQVSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50347774; PubChem:CID53308973
|
Local ready
Direct docking supported
|
|
E3L053447
BDB053447
|
BDBM50347775
CCOC(=O)C(=O)NC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C
|
C16H15N3O6 345.311000 |
WTULRBFXIGDPPX-POHAHGRESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50347775; PubChem:CID53308974
|
Local ready
Direct docking supported
|
|
E3L053448
BDB053448
|
BDBM50347776
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCc1ccccc1
|
C19H17N3O3 335.363000 |
FBHZWMCHPUGZRM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347776
|
Local ready
Direct docking supported
|
|
E3L053449
BDB053449
|
BDBM50347777
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCc1ccc2c(c1)OCO2
|
C20H17N3O5 379.372000 |
YCUFFCKRBVGCAI-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347777
|
Local ready
Direct docking supported
|
|
E3L053450
BDB053450
|
BDBM50347778
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1Nc1ccccc1
|
C18H15N3O3 321.336000 |
OQGLPYHETIJRBX-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50347778
|
Local ready
Direct docking supported
|
|
E3L053451
BDB053451
|
BDBM50347917
O=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)N1
|
C12H9N3O2 227.223000 |
WJZHVBZSCOLDKV-YHYXMXQVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50347917
|
Local ready
Direct docking supported
|
|
E3L053452
BDB053452
|
NU6140
CCN(CC)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
|
C23H30N6O2 422.533000 |
XHEQSRJCJTWWAH-UHFFFAOYSA-N | O14965, P51948 | Aurora kinase A, Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50347924; PubChem:CID10202471
|
Local ready
Direct docking supported
|
|
E3L053453
BDB053453
|
Me-Ala-Chg-Pro-NHbenzhydryl
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1
|
C30H40N4O3 504.675000 |
IEJKFYIVTNQIEA-NOOLENRPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50348191; PubChem:CID56669774
|
Local ready
Direct docking supported
|
|
E3L053454
BDB053454
|
Me-Ala-Phe-Pro-NHbenzhydryl
CN[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
|
C31H36N4O3 512.654000 |
ICZPJFGVMHFQHA-CAVYSCNFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50348193; PubChem:CID56679934
|
Local ready
Direct docking supported
|
|
E3L053455
BDB053455
|
Me-Ala-Val-Pro-NHbenzhydryl
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C
|
C27H36N4O3 464.610000 |
SOWOWEPRDWOROA-VJBMBRPKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50348195; PubChem:CID56662840
|
Local ready
Direct docking supported
|
|
E3L053456
BDB053456
|
Me-Ala-Val-D-Pro-NHbenzhydryl
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C
|
C27H36N4O3 464.610000 |
SOWOWEPRDWOROA-PMOQBDJRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50348196; PubChem:CID25241676
|
Local ready
Direct docking supported
|
|
E3L053457
BDB053457
|
Me-D-Ala-Val-Pro-NHbenzhydryl
CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C
|
C27H36N4O3 464.610000 |
SOWOWEPRDWOROA-OIBXWCBGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50348197; PubChem:CID56666366
|
Local ready
Direct docking supported
|
|
E3L053458
BDB053458
|
Me-Ala-D-Val-Pro-NHbenzhydryl
CN[C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C
|
C27H36N4O3 464.610000 |
SOWOWEPRDWOROA-AJSBUHFISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50348220; PubChem:CID25241691
|
Local ready
Direct docking supported
|
|
E3L053459
BDB053459
|
Azd8055
COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO
|
C25H31N5O4 465.554000 |
KVLFRAWTRWDEDF-IRXDYDNUSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50348452; PubChem:CID25262965
|
Local ready
Direct docking supported
|
|
E3L053460
BDB053460
|
BDBM50348622
Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1
|
C14H13N7S 311.374000 |
DVKYBHNNFVMHIN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348622; PubChem:CID11580435
|
Local ready
Direct docking supported
|