| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031021
BDB031021
|
US20230303553, Example 5
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncsc5c4)n3)nc2)CC1
|
C26H26FN7O3S 535.605000 |
GTVWYIASBVPCEA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621010; PubChem:CID169073893
|
Local ready
Direct docking supported
|
|
E3L031022
BDB031022
|
US20230303553, Example 23
O=C(c1ccc(Nc2ncc(F)c(-c3ccc4nc(NC5CCCC5)sc4c3)n2)nc1)N1CCNCC1
|
C26H27FN8OS 518.622000 |
ZXNKLLQATJHCGU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621011; PubChem:CID169073861
|
Local ready
Direct docking supported
|
|
E3L031023
BDB031023
|
US20230303553, Example 6
O=C(c1ccc(Nc2ncc(F)c(-c3ccc4ncsc4c3)n2)nc1)N1CCNCC1
|
C21H18FN7OS 435.488000 |
GLXOBAUWZZUWAU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621013; PubChem:CID169073894
|
Local ready
Direct docking supported
|
|
E3L031024
BDB031024
|
US20230303553, Example 24
CCOC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C29H33FN8O2S 576.702000 |
NWLYHXPRUONCMU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621014; PubChem:CID169073891
|
Local ready
Direct docking supported
|
|
E3L031025
BDB031025
|
US20230303553, Example 42
CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(N(CC)CC)sc5c4)n3)nc2)CC1
|
C27H31FN8OS 534.665000 |
NVJVPUYRSSDOPO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621015; PubChem:CID169073912
|
Local ready
Direct docking supported
|
|
E3L031026
BDB031026
|
US20230303553, Example 43
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(N(CC)CC)sc5c4)n3)nc2)CC1
|
C27H33FN8S 520.682000 |
HIDZIHZHRJJHIB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621018; PubChem:CID169073881
|
Local ready
Direct docking supported
|
|
E3L031027
BDB031027
|
US20230303553, Example 8
Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncsc2c1
|
C20H18FN7S 407.478000 |
RRJNXBNVQSVJBA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621019; PubChem:CID156779616
|
Local ready
Direct docking supported
|
|
E3L031028
BDB031028
|
US20230303553, Example 26
CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C30H35FN8O2S 590.729000 |
XWBPXBNSMOXMLC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621020; PubChem:CID169073887
|
Local ready
Direct docking supported
|
|
E3L031029
BDB031029
|
US20230303553, Example 27
Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
|
C25H27FN8S 490.612000 |
NZVIEGVPMXNSJT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621023; PubChem:CID169073847
|
Local ready
Direct docking supported
|
|
E3L031030
BDB031030
|
US20230303553, Example 45
CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(CN5CCNCC5)cn4)ncc3F)cc2s1
|
C25H29FN8S 492.628000 |
ONCJKEZPQVEATH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621024; PubChem:CID169073855
|
Local ready
Direct docking supported
|
|
E3L031031
BDB031031
|
US20230303553, Example 28
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C29H35FN8S 546.720000 |
JYRRTOFZIGEMAN-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621026; PubChem:CID169073906
|
Local ready
Direct docking supported
|
|
E3L031032
BDB031032
|
US20230303553, Example 46
CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc2s1
|
C30H35FN8O3S 606.728000 |
NPQSOFKMVBBVFF-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621027; PubChem:CID169073879
|
Local ready
Direct docking supported
|
|
E3L031033
BDB031033
|
US20230303553, Example 11
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5ncsc5c4)n3)nc2)CC1
|
C24H26FN7S 463.586000 |
MCHFBGTXGSLCLO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621028; PubChem:CID169073896
|
Local ready
Direct docking supported
|
|
E3L031034
BDB031034
|
US20230303553, Example 29
CC(C)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C29H33FN8OS 560.703000 |
OVRDWLJZSQZCBW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621029; PubChem:CID169073870
|
Local ready
Direct docking supported
|
|
E3L031035
BDB031035
|
US20230303553, Example 47
CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCNCC5)cn4)ncc3F)cc2s1
|
C25H27FN8OS 506.611000 |
QULVCQWDONFUCP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621030; PubChem:CID169073897
|
Local ready
Direct docking supported
|
|
E3L031036
BDB031036
|
US20230303553, Example 13
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(C)sc5c4)n3)nc2)CC1
|
C24H26FN7S 463.586000 |
CWGKHYILSMYODL-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621034; PubChem:CID169073898
|
Local ready
Direct docking supported
|
|
E3L031037
BDB031037
|
BDBM621035
CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(N(C)C)sc5c4)n3)nc2)CC1
|
C25H27FN8OS 506.611000 |
AWBAKFAKVVKANT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621035; PubChem:CID163183800
|
Local ready
Direct docking supported
|
|
E3L031038
BDB031038
|
US20230303553, Example 14
Cc1nc2ccc(-c3nc(Nc4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)cc2s1
|
C27H30FN7O2S 535.649000 |
RQIJNGZJGSJUAD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621037; PubChem:CID169073883
|
Local ready
Direct docking supported
|
|
E3L031039
BDB031039
|
US20230303553, Example 15
Cc1nc2ccc(-c3nc(Nc4ccc(CN5CCNCC5)cn4)ncc3F)cc2s1
|
C22H22FN7S 435.532000 |
BXPPINFBXDOAPI-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621040; PubChem:CID169073907
|
Local ready
Direct docking supported
|
|
E3L031040
BDB031040
|
US20230303553, Example 51
CCN(CC)c1nc2ccc(-c3nc(Nc4ccc(C(=O)N5CCN(C(C)C)CC5)cn4)ncc3F)cc2s1
|
C28H33FN8OS 548.692000 |
QXLHPZGOJNRMDZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621042; PubChem:CID169073871
|
Local ready
Direct docking supported
|