| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064001
BDB064001
|
BDBM50627546
O=C1NC(Nc2cccc(OC(F)F)c2)=N/C1=C\c1ccc2ncsc2c1
|
C18H12F2N4O2S 386.383000 |
IRBWROIEALHOPH-NSIKDUERSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627546; PubChem:CID162346768
|
Local ready
Direct docking supported
|
|
E3L064002
BDB064002
|
BDBM50627547
O=C1NC(Nc2ccc3c(c2)CCC3)=N/C1=C\c1ccc2ncsc2c1
|
C20H16N4OS 360.442000 |
TYCNIAHUXCRTIA-IUXPMGMMSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627547; PubChem:CID162346741
|
Local ready
Direct docking supported
|
|
E3L064003
BDB064003
|
BDBM50627548
CC(=O)N1CCc2ccc(NC3=N/C(=C\c4ccc5ncsc5c4)C(=O)N3)cc21
|
C21H17N5O2S 403.467000 |
HGMCNIGKEVZHFM-IUXPMGMMSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627548; PubChem:CID162346732
|
Local ready
Direct docking supported
|
|
E3L064004
BDB064004
|
BDBM50627549
Cn1ncc2cccc(NC3=N/C(=C\c4ccc5ncsc5c4)C(=O)N3)c21
|
C19H14N6OS 374.429000 |
FFESRGFMLQEDRD-CHHVJCJISA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627549; PubChem:CID162346747
|
Local ready
Direct docking supported
|
|
E3L064005
BDB064005
|
BDBM50627550
CN1CCN(c2ccc(NC3=N/C(=C\c4ccc5ncsc5c4)C(=O)N3)cc2)CC1
|
C22H22N6OS 418.526000 |
LYYKJBQTIFDJMU-UNOMPAQXSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627550; PubChem:CID162346781
|
Local ready
Direct docking supported
|
|
E3L064006
BDB064006
|
BDBM50627551
O=C1NC(Nc2ccc(N3CCOCC3)cc2)=N/C1=C\c1ccc2ncsc2c1
|
C21H19N5O2S 405.483000 |
RSZUVBZJZOQBPP-WQRHYEAKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627551; PubChem:CID162346779
|
Local ready
Direct docking supported
|
|
E3L064007
BDB064007
|
BDBM50627552
O=C1NC(Nc2cccnc2)=N/C1=C\c1ccc2ncsc2c1
|
C16H11N5OS 321.365000 |
QVLJVHWQAKYGQI-MLPAPPSSSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627552; PubChem:CID162346676
|
Local ready
Direct docking supported
|
|
E3L064008
BDB064008
|
BDBM50627553
O=C1NC(Nc2ccccn2)=N/C1=C\c1ccc2ncsc2c1
|
C16H11N5OS 321.365000 |
RYWACTNAXCMTTN-GHXNOFRVSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627553; PubChem:CID162346746
|
Local ready
Direct docking supported
|
|
E3L064009
BDB064009
|
BDBM50627554
COc1nc(C)ccc1NC1=N/C(=C\c2ccc3ncsc3c2)C(=O)N1
|
C18H15N5O2S 365.418000 |
BZUXWEBTNNKFBN-AUWJEWJLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627554; PubChem:CID162346743
|
Local ready
Direct docking supported
|
|
E3L064010
BDB064010
|
BDBM50627555
O=C1NC(Nc2ncccn2)=N/C1=C\c1ccc2ncsc2c1
|
C15H10N6OS 322.353000 |
NLNMWQUTXDGLJU-WDZFZDKYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627555; PubChem:CID162346668
|
Local ready
Direct docking supported
|
|
E3L064011
BDB064011
|
BDBM50627556
O=C1NC(Nc2cncnc2)=N/C1=C\c1ccc2ncsc2c1
|
C15H10N6OS 322.353000 |
KQZBWTMAFLOSPA-BASWHVEKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627556; PubChem:CID162346654
|
Local ready
Direct docking supported
|
|
E3L064012
BDB064012
|
BDBM50627557
CN1CCN(c2cnc(NC3=N/C(=C\c4ccc5ncsc5c4)C(=O)N3)nc2)CC1
|
C20H20N8OS 420.502000 |
HMDPCTZKMDHQTP-PXNMLYILSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627557; PubChem:CID166523498
|
Local ready
Direct docking supported
|
|
E3L064013
BDB064013
|
BDBM50627558
CN1CCN(c2ncc(NC3=N/C(=C\c4ccc5ncsc5c4)C(=O)N3)cn2)CC1
|
C20H20N8OS 420.502000 |
OWDVXJJCVWTPPW-PXNMLYILSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627558; PubChem:CID166523480
|
Local ready
Direct docking supported
|
|
E3L064014
BDB064014
|
BDBM50627559
CN1CCN(c2cnc(NC3=N/C(=C\c4ccc5ncsc5c4)C(=O)N3)cn2)CC1
|
C20H20N8OS 420.502000 |
UBUJLBVNZCRWPX-NVNXTCNLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627559; PubChem:CID162346735
|
Local ready
Direct docking supported
|
|
E3L064015
BDB064015
|
BDBM50627560
Cn1ccc(NC2=N/C(=C\c3ccc4ncsc4c3)C(=O)N2)n1
|
C15H12N6OS 324.369000 |
QNWARURWFRZNNO-WDZFZDKYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627560; PubChem:CID162346691
|
Local ready
Direct docking supported
|
|
E3L064016
BDB064016
|
BDBM50627561
O=C1NC(Nc2nncs2)=N/C1=C\c1ccc2ncsc2c1
|
C13H8N6OS2 328.382000 |
AMBKAVGTUWUVBS-OQFOIZHKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627561; PubChem:CID162346780
|
Local ready
Direct docking supported
|
|
E3L064017
BDB064017
|
BDBM50627562
O=C1NC(NC2COC2)=N/C1=C\c1ccc2ncsc2c1
|
C14H12N4O2S 300.343000 |
YKFHBMIPXGSMRS-JYOAFUTRSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627562; PubChem:CID162346683
|
Local ready
Direct docking supported
|
|
E3L064018
BDB064018
|
BDBM50627563
O=C1NC(N[C@@H]2CCOC2)=N/C1=C\c1ccc2ncsc2c1
|
C15H14N4O2S 314.370000 |
ACOQCSBMVFAWQV-CGYDICSFSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627563; PubChem:CID162346652
|
Local ready
Direct docking supported
|
|
E3L064019
BDB064019
|
BDBM50627564
O=C1NC(N[C@H]2CCOC2)=N/C1=C\c1ccc2ncsc2c1
|
C15H14N4O2S 314.370000 |
ACOQCSBMVFAWQV-IUIMMGEKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627564; PubChem:CID162346762
|
Local ready
Direct docking supported
|
|
E3L064020
BDB064020
|
BDBM50627565
O=C1NC(NC2CCOCC2)=N/C1=C\c1ccc2ncsc2c1
|
C16H16N4O2S 328.397000 |
UBPOBEKAVPQZHZ-QPEQYQDCSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50627565; PubChem:CID162346708
|
Local ready
Direct docking supported
|