| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063941
BDB063941
|
BDBM50627486
C[C@]12CC3CC(NC4=N/C(=C\c5ccc6ncsc6c5)C(=O)N4)(C1)C[C@@](C)(C3)C2
|
C23H26N4OS 406.555000 |
FVIUKIZPDJZQKD-LARPSKPRSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627486; PubChem:CID172465759
|
Local ready
Direct docking supported
|
|
E3L063942
BDB063942
|
BDBM50627487
O=C1NC(NC23CC4CC(CC(O)(C4)C2)C3)=N/C1=C\c1ccc2ncsc2c1
|
C21H22N4O2S 394.500000 |
DPDVVGCNUWGGRS-XRVIQIRUSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627487; PubChem:CID162346765
|
Local ready
Direct docking supported
|
|
E3L063943
BDB063943
|
BDBM50627488
COC12CC3CC(CC(NC4=N/C(=C\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2
|
C22H24N4O2S 408.527000 |
RJYLSCSDDDQEPD-ZWSORDCHSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627488; PubChem:CID162346739
|
Local ready
Direct docking supported
|
|
E3L063944
BDB063944
|
BDBM50627489
O=C1NC(NC23CC4CC(CC(F)(C4)C2)C3)=N/C1=C\c1ccc2ncsc2c1
|
C21H21FN4OS 396.491000 |
QIYXLIZWXGGKOO-XRVIQIRUSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627489; PubChem:CID166523489
|
Local ready
Direct docking supported
|
|
E3L063945
BDB063945
|
BDBM50627490
O=C1NC(NC23CC4(F)CC(F)(CC(F)(C4)C2)C3)=N/C1=C\c1ccc2ncsc2c1
|
C21H19F3N4OS 432.471000 |
VCTLOEWZYIGVBO-BNNQUZSASA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627490; PubChem:CID166523499
|
Local ready
Direct docking supported
|
|
E3L063946
BDB063946
|
BDBM50627491
CC(=O)OC12CC3CC(CC(NC4=N/C(=C\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2
|
C23H24N4O3S 436.537000 |
UGYUFJPHSWYELP-DVZOWYKESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627491; PubChem:CID166523479
|
Local ready
Direct docking supported
|
|
E3L063947
BDB063947
|
BDBM50627492
CC(C)(C)C(=O)OC12CC3CC(CC(NC4=N/C(=C\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2
|
C26H30N4O3S 478.618000 |
KQGHLDMPONJRNE-GXHLCREISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627492; PubChem:CID166523484
|
Local ready
Direct docking supported
|
|
E3L063948
BDB063948
|
BDBM50627493
CC(C)(C)NC(=O)OC12CC3CC(CC(NC4=N/C(=C\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2
|
C26H31N5O3S 493.633000 |
YAXGFAAKCUOWNM-GXHLCREISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627493; PubChem:CID166523465
|
Local ready
Direct docking supported
|
|
E3L063949
BDB063949
|
BDBM50627494
CC(=O)NC12CC3CC(C1)CC(NC1=N/C(=C\c4ccc5ncsc5c4)C(=O)N1)(C3)C2
|
C23H25N5O2S 435.553000 |
QMUKOEKTUBVPFU-DVZOWYKESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627494; PubChem:CID166523506
|
Local ready
Direct docking supported
|
|
E3L063950
BDB063950
|
BDBM50627495
O=C1NC(NC23CC4CC(CC(NC(=O)C5CC5)(C4)C2)C3)=N/C1=C\c1ccc2ncsc2c1
|
C25H27N5O2S 461.591000 |
BWNQBFHVFFZHMR-SWNXQHNESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627495; PubChem:CID166523482
|
Local ready
Direct docking supported
|
|
E3L063951
BDB063951
|
BDBM50627496
CS(=O)(=O)NC12CC3CC(CC(NC4=N/C(=C\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2
|
C22H25N5O3S2 471.608000 |
QXFBTYPBHYOEMX-ZWSORDCHSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627496; PubChem:CID166523510
|
Local ready
Direct docking supported
|
|
E3L063952
BDB063952
|
BDBM50627497
CN(C)C12CC3CC(CC(NC4=N/C(=C\c5ccc6ncsc6c5)C(=O)N4)(C3)C1)C2
|
C23H27N5OS 421.570000 |
NBTJWRPKGNQBJS-FXBPXSCXSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627497; PubChem:CID167523963
|
Local ready
Direct docking supported
|
|
E3L063953
BDB063953
|
BDBM50627498
O=C1NC(NCc2ccccc2)=N/C1=C\c1ccc2ncsc2c1
|
C18H14N4OS 334.404000 |
KQCIEIGKPXQRLM-NVNXTCNLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627498; PubChem:CID156483958
|
Local ready
Direct docking supported
|
|
E3L063954
BDB063954
|
BDBM50627499
Cc1ccc(CNC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)cc1C
|
C20H18N4OS 362.458000 |
RVYFLJXKEYHVBR-IUXPMGMMSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627499; PubChem:CID162346776
|
Local ready
Direct docking supported
|
|
E3L063955
BDB063955
|
BDBM50627500
Cc1ccc(CNC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)c(C)c1
|
C20H18N4OS 362.458000 |
RILDWXOQLWEXDG-IUXPMGMMSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627500; PubChem:CID162346703
|
Local ready
Direct docking supported
|
|
E3L063956
BDB063956
|
BDBM50627501
O=C1NC(NCc2ccccc2C(F)(F)F)=N/C1=C\c1ccc2ncsc2c1
|
C19H13F3N4OS 402.401000 |
OYDWEMSWMQKSLK-CHHVJCJISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627501; PubChem:CID162346663
|
Local ready
Direct docking supported
|
|
E3L063957
BDB063957
|
BDBM50627502
O=C1NC(NCc2ccccc2OC(F)(F)F)=N/C1=C\c1ccc2ncsc2c1
|
C19H13F3N4O2S 418.400000 |
OITUSVUYZAXFTD-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627502; PubChem:CID162346730
|
Local ready
Direct docking supported
|
|
E3L063958
BDB063958
|
BDBM50627503
O=C1NC(NC2Cc3ccccc3C2)=N/C1=C\c1ccc2ncsc2c1
|
C20H16N4OS 360.442000 |
CRVHQVJVMWGKAV-IDUWFGFVSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627503; PubChem:CID162346755
|
Local ready
Direct docking supported
|
|
E3L063959
BDB063959
|
BDBM50627504
O=C1NC(N[C@@H]2c3ccccc3C[C@H]2O)=N/C1=C\c1ccc2ncsc2c1
|
C20H16N4O2S 376.441000 |
BULHRWBHKAVJMT-AYUBBMQVSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627504; PubChem:CID162346745
|
Local ready
Direct docking supported
|
|
E3L063960
BDB063960
|
BDBM50627505
O=C1NC(N[C@H]2c3ccccc3C[C@@H]2O)=N/C1=C\c1ccc2ncsc2c1
|
C20H16N4O2S 376.441000 |
BULHRWBHKAVJMT-SRVMLKLISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627505; PubChem:CID162346782
|
Local ready
Direct docking supported
|