| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063861
BDB063861
|
BDBM50627406
O=C1NC(NC2CCCC2)=N/C1=C\c1ccc2ncsc2c1
|
C16H16N4OS 312.398000 |
VGWCJGBQHCMHNJ-QPEQYQDCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627406; PubChem:CID166523473
|
Local ready
Direct docking supported
|
|
E3L063862
BDB063862
|
BDBM50627407
O=C1NC(NC2CCCCCCC2)=N/C1=C\c1ccc2ncsc2c1
|
C19H22N4OS 354.479000 |
SKKBUBMBPCJYKW-YBEGLDIGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627407; PubChem:CID162346770
|
Local ready
Direct docking supported
|
|
E3L063863
BDB063863
|
BDBM50627408
C[C@@H]1CCCC[C@H]1NC1=N/C(=C\c2ccc3ncsc3c2)C(=O)N1
|
C18H20N4OS 340.452000 |
FBURYRMHEHTVED-DTJUADOXSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627408; PubChem:CID168776257
|
Local ready
Direct docking supported
|
|
E3L063864
BDB063864
|
BDBM50627409
C[C@@H](NC1=N/C(=C\c2ccc3ncsc3c2)C(=O)N1)C1CCCCC1
|
C19H22N4OS 354.479000 |
DGSCWEKDRWDCOB-DZZSIBQASA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627409; PubChem:CID162346722
|
Local ready
Direct docking supported
|
|
E3L063865
BDB063865
|
BDBM50627410
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC1=N/C(=C\c2ccc3ncsc3c2)C(=O)N1
|
C21H26N4OS 382.533000 |
BFZIDBAEKWSVSX-CMRDJVCKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627410; PubChem:CID162346677
|
Local ready
Direct docking supported
|
|
E3L063866
BDB063866
|
BDBM50627411
C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC1=N/C(=C\c3ccc4ncsc4c3)C(=O)N1)C2(C)C
|
C21H24N4OS 380.517000 |
XCTYEZWILVGTGO-ONGFQANTSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627411; PubChem:CID162346682
|
Local ready
Direct docking supported
|
|
E3L063867
BDB063867
|
BDBM50627412
O=C1NC(NC2CC3(CCC3)C2)=N/C1=C\c1ccc2ncsc2c1
|
C18H18N4OS 338.436000 |
LZTDWHFXSWDVAG-NSIKDUERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627412; PubChem:CID162346723
|
Local ready
Direct docking supported
|
|
E3L063868
BDB063868
|
BDBM50627413
O=C1NC(NC2CC23CCCCC3)=N/C1=C\c1ccc2ncsc2c1
|
C19H20N4OS 352.463000 |
ROPFCXUWNMYMSW-ZSOIEALJSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627413; PubChem:CID162346666
|
Local ready
Direct docking supported
|
|
E3L063869
BDB063869
|
BDBM50627414
O=C1NC(NC2CC3CCC2C3)=N/C1=C\c1ccc2ncsc2c1
|
C18H18N4OS 338.436000 |
LVSVYVPFNYRNOF-CHHVJCJISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627414; PubChem:CID162346760
|
Local ready
Direct docking supported
|
|
E3L063870
BDB063870
|
BDBM50627415
CC1(C)C2CCC1(C)[C@H](NC1=N/C(=C\c3ccc4ncsc4c3)C(=O)N1)C2
|
C21H24N4OS 380.517000 |
SBYPANVVFZBWDF-OEGXJBBASA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627415; PubChem:CID162346751
|
Local ready
Direct docking supported
|
|
E3L063871
BDB063871
|
BDBM50627416
O=C1NC(NC2CCC(F)(F)C2)=N/C1=C\c1ccc2ncsc2c1
|
C16H14F2N4OS 348.378000 |
SJYQOVMGZOATNK-XGICHPGQSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627416; PubChem:CID166523476
|
Local ready
Direct docking supported
|
|
E3L063872
BDB063872
|
BDBM50627417
O=C1NC(NC2CCCCC2(F)F)=N/C1=C\c1ccc2ncsc2c1
|
C17H16F2N4OS 362.405000 |
DCJOTKUJWJFCSP-GHXNOFRVSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627417; PubChem:CID166523518
|
Local ready
Direct docking supported
|
|
E3L063873
BDB063873
|
BDBM50627418
O=C1NC(NC2CCCC(F)(F)C2)=N/C1=C\c1ccc2ncsc2c1
|
C17H16F2N4OS 362.405000 |
OVVHFDIQCYTOAS-MLPAPPSSSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627418; PubChem:CID166523509
|
Local ready
Direct docking supported
|
|
E3L063874
BDB063874
|
BDBM50627419
O=C1NC(NC2CCC(F)(F)CC2)=N/C1=C\c1ccc2ncsc2c1
|
C17H16F2N4OS 362.405000 |
NNPWUWSWEGWPMQ-QPEQYQDCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627419; PubChem:CID166523523
|
Local ready
Direct docking supported
|
|
E3L063875
BDB063875
|
BDBM50627420
O=C1NC(NC2CCCCC(F)(F)C2)=N/C1=C\c1ccc2ncsc2c1
|
C18H18F2N4OS 376.432000 |
CGPYAXSYKQBYKJ-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627420; PubChem:CID166523463
|
Local ready
Direct docking supported
|
|
E3L063876
BDB063876
|
BDBM50627421
O=C1NC(N[C@@H]2CCC[C@@H]2O)=N/C1=C\c1ccc2ncsc2c1
|
C16H16N4O2S 328.397000 |
YDTHCIZMSQZYMR-AYWSEEJGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627421; PubChem:CID162346727
|
Local ready
Direct docking supported
|
|
E3L063877
BDB063877
|
BDBM50627422
O=C1NC(N[C@@H]2CCC[C@H]2O)=N/C1=C\c1ccc2ncsc2c1
|
C16H16N4O2S 328.397000 |
YDTHCIZMSQZYMR-PMLKFVNJSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627422; PubChem:CID162346699
|
Local ready
Direct docking supported
|
|
E3L063878
BDB063878
|
BDBM50627423
O=C1NC(N[C@@H]2CCCC[C@H]2O)=N/C1=C\c1ccc2ncsc2c1
|
C17H18N4O2S 342.424000 |
RUQXGVGYNKIGJD-VMNIFKSYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627423; PubChem:CID162346775
|
Local ready
Direct docking supported
|
|
E3L063879
BDB063879
|
BDBM50627424
O=C1NC(N[C@H]2CCCC[C@@H]2O)=N/C1=C\c1ccc2ncsc2c1
|
C17H18N4O2S 342.424000 |
RUQXGVGYNKIGJD-HWRLVWNTSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627424; PubChem:CID162346706
|
Local ready
Direct docking supported
|
|
E3L063880
BDB063880
|
BDBM50627425
O=C1NC(N[C@H]2CCCC[C@H]2O)=N/C1=C\c1ccc2ncsc2c1
|
C17H18N4O2S 342.424000 |
RUQXGVGYNKIGJD-ONLLTHEQSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627425; PubChem:CID162346724
|
Local ready
Direct docking supported
|