| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063981
BDB063981
|
BDBM50627526
CNCC(NC1=NC(=Cc2ccc3ncsc3c2)C(=O)N1)c1ccccc1
|
C20H19N5OS 377.473000 |
FGBSSPMQGRUJPS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627526; PubChem:CID176732630
|
Local ready
Direct docking supported
|
|
E3L063982
BDB063982
|
BDBM50627527
CN(C)CC(NC1=N/C(=C\c2ccc3ncsc3c2)C(=O)N1)c1ccccc1
|
C21H21N5OS 391.500000 |
RDXUXJLQXOFAJG-YVLHZVERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627527; PubChem:CID162346710
|
Local ready
Direct docking supported
|
|
E3L063983
BDB063983
|
BDBM50627528
O=C1NC(NCc2ccccn2)=N/C1=C\c1ccc2ncsc2c1
|
C17H13N5OS 335.392000 |
PAEKWZJLZMSTLB-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627528; PubChem:CID162346711
|
Local ready
Direct docking supported
|
|
E3L063984
BDB063984
|
BDBM50627529
O=C1NC(NCc2cccnc2)=N/C1=C\c1ccc2ncsc2c1
|
C17H13N5OS 335.392000 |
CEWIXDGUKGVYDQ-NSIKDUERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627529; PubChem:CID162346763
|
Local ready
Direct docking supported
|
|
E3L063985
BDB063985
|
BDBM50627530
O=C1NC(NCc2ccncc2)=N/C1=C\c1ccc2ncsc2c1
|
C17H13N5OS 335.392000 |
MVRRAWJPZXNFMK-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627530; PubChem:CID162346704
|
Local ready
Direct docking supported
|
|
E3L063986
BDB063986
|
BDBM50627531
O=C1NC(NCCc2ccccn2)=N/C1=C\c1ccc2ncsc2c1
|
C18H15N5OS 349.419000 |
LDYVHYUGOBDUMZ-DHDCSXOGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627531; PubChem:CID162346713
|
Local ready
Direct docking supported
|
|
E3L063987
BDB063987
|
BDBM50627532
Cc1cnc(CNC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)cn1
|
C17H14N6OS 350.407000 |
OKCYRFPVWRGQBV-CPSFFCFKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627532; PubChem:CID162346777
|
Local ready
Direct docking supported
|
|
E3L063988
BDB063988
|
BDBM50627533
Cc1ccc(CNC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)o1
|
C17H14N4O2S 338.392000 |
YVSLJAICTSVCDB-NSIKDUERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627533; PubChem:CID162346696
|
Local ready
Direct docking supported
|
|
E3L063989
BDB063989
|
BDBM50627534
O=C1NC(NCCCn2ccnc2)=N/C1=C\c1ccc2ncsc2c1
|
C17H16N6OS 352.423000 |
QVYXLOYBJBMXNP-ZSOIEALJSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627534; PubChem:CID162346731
|
Local ready
Direct docking supported
|
|
E3L063990
BDB063990
|
BDBM50627535
Cc1csc(CNC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)n1
|
C16H13N5OS2 355.448000 |
YYSXUOHHBBMQMJ-QCDXTXTGSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627535; PubChem:CID162346769
|
Local ready
Direct docking supported
|
|
E3L063991
BDB063991
|
BDBM50627536
O=C1NC(NCc2nc3ccccc3s2)=N/C1=C\c1ccc2ncsc2c1
|
C19H13N5OS2 391.481000 |
VNRLVGZOAVIXDU-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627536; PubChem:CID162346707
|
Local ready
Direct docking supported
|
|
E3L063992
BDB063992
|
BDBM50627537
O=C1NC(NCC2CCOCC2)=N/C1=C\c1ccc2ncsc2c1
|
C17H18N4O2S 342.424000 |
HHSNDNONCUTNQR-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627537; PubChem:CID162346716
|
Local ready
Direct docking supported
|
|
E3L063993
BDB063993
|
BDBM50627538
CN1CCC2(CC1)CC(NC1=N/C(=C\c3ccc4ncsc4c3)C(=O)N1)C2
|
C20H23N5OS 381.505000 |
VDJFUWZMISVQGO-PXNMLYILSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627538; PubChem:CID162346695
|
Local ready
Direct docking supported
|
|
E3L063994
BDB063994
|
BDBM50627539
CN1CCC(CNC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)CC1
|
C18H21N5OS 355.467000 |
DYBRCDUVXHJNFH-NVNXTCNLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627539; PubChem:CID162346725
|
Local ready
Direct docking supported
|
|
E3L063995
BDB063995
|
BDBM50627540
CC(C)(C)OC(=O)N1CCC(CNC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)CC1
|
C22H27N5O3S 441.557000 |
NPCHLCRENQCWNN-YVLHZVERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627540; PubChem:CID162346648
|
Local ready
Direct docking supported
|
|
E3L063996
BDB063996
|
BDBM50627541
O=C1NC(Nc2ccccc2)=N/C1=C\c1ccc2ncsc2c1
|
C17H12N4OS 320.377000 |
MQRHLOPPMRFMKM-ZSOIEALJSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627541; PubChem:CID156483956
|
Local ready
Direct docking supported
|
|
E3L063997
BDB063997
|
BDBM50627542
CCCCCCc1ccc(NC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)cc1
|
C23H24N4OS 404.539000 |
NJSBYJDACKEXSS-MOSHPQCFSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627542; PubChem:CID162346738
|
Local ready
Direct docking supported
|
|
E3L063998
BDB063998
|
BDBM50627543
O=C1NC(Nc2ccc(F)cc2)=N/C1=C\c1ccc2ncsc2c1
|
C17H11FN4OS 338.367000 |
LGCHSPYDLIKTIC-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627543; PubChem:CID162346649
|
Local ready
Direct docking supported
|
|
E3L063999
BDB063999
|
BDBM50627544
Cc1ccc(NC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)cc1F
|
C18H13FN4OS 352.394000 |
NRHKUKQUEJSGMG-UUASQNMZSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627544; PubChem:CID162346752
|
Local ready
Direct docking supported
|
|
E3L064000
BDB064000
|
BDBM50627545
O=C1NC(Nc2cccc(C(F)(F)F)c2)=N/C1=C\c1ccc2ncsc2c1
|
C18H11F3N4OS 388.374000 |
AMHZZMGEDQCWKL-NSIKDUERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627545; PubChem:CID162346640
|
Local ready
Direct docking supported
|