| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031001
BDB031001
|
BDBM619543
Cc1cc(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(C#N)ccc34)n2)n[nH]1
|
C18H12F3N7 383.337000 |
GNKGLQZWCXRWIG-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619543; PubChem:CID169058712
|
Local ready
Direct docking supported
|
|
E3L031002
BDB031002
|
BDBM619544
CC1(C)CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P5(=O)CCCC5)nccc34)n2)CN1
|
C23H28F3N6OP 492.486000 |
WCYGDLGOHWIWKL-AWEZNQCLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619544; PubChem:CID169058687
|
Local ready
Direct docking supported
|
|
E3L031003
BDB031003
|
BDBM619545
COC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCC(C)(C)NC4)ncc3C(F)(F)F)c[nH]c2c1P1(=O)CCCC1
|
C26H32F3N6O3P 564.549000 |
NYFUWVMIZFQUBX-HNNXBMFYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619545; PubChem:CID169058704
|
Local ready
Direct docking supported
|
|
E3L031004
BDB031004
|
BDBM619546
CC1(C)CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(S(=O)(=O)C5CCCC5)c(C#N)ccc34)n2)CN1
|
C26H29F3N6O2S 546.619000 |
XHFWJHGJYRBYBK-INIZCTEOSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619546; PubChem:CID169428970
|
Local ready
Direct docking supported
|
|
E3L031005
BDB031005
|
BDBM619547
CC1(C)CC[C@H](Nc2nc(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)c3ccccc3n2)CN1
|
C26H29N6OP 472.533000 |
SOVZFCHFNPRSTO-KRWDZBQOSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619547; PubChem:CID169428971
|
Local ready
Direct docking supported
|
|
E3L031006
BDB031006
|
BDBM619548
Cc1cc(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)n[nH]1
|
C20H17F3N7OP 459.372000 |
NYNZXMOJODJLBB-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619548; PubChem:CID169428972
|
Local ready
Direct docking supported
|
|
E3L031007
BDB031007
|
BDBM619549
CC1(C)CC[C@H](Nc2ncc(C(F)(F)F)c(-n3cnc4c(P(C)(C)=O)c(C#N)ccc43)n2)CN1
|
C22H25F3N7OP 491.458000 |
ZYKBBPJSUPHJJU-AWEZNQCLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619549; PubChem:CID169876799
|
Local ready
Direct docking supported
|
|
E3L031008
BDB031008
|
BDBM619550
CP(C)(=O)c1c(C#N)ccc2c(-c3nc(N[C@H]4CCC(=O)NC4)ncc3C(F)(F)F)c[nH]c12
|
C21H20F3N6O2P 476.399000 |
IFICRASHUOIIRM-LBPRGKRZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619550; PubChem:CID169428974
|
Local ready
Direct docking supported
|
|
E3L031009
BDB031009
|
BDBM619551
COC(=O)N[C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)C1
|
C24H26F3N6O3P 534.479000 |
VWAYIWFETHKFKI-CABCVRRESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM619551; PubChem:CID169428975
|
Local ready
Direct docking supported
|
|
E3L031010
BDB031010
|
BDBM620148
CCC1(CC)C[C@@H]2SCC[C@H](NC(=O)[C@H](C)NC)C(=O)N2[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21
|
C27H40N4O3S 500.709000 |
YCUILHYJHGZEQN-MPQLGERFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM620148
|
Local ready
Direct docking supported
|
|
E3L031011
BDB031011
|
BDBM620153
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N2[C@H](CC(C)(C)[C@H]2C(=O)N[C@@H]2CCCc3ccccc32)OC2CCCCC21
|
C29H42N4O4 510.679000 |
ZHBDFVCWGJVRKP-ZFFKMFFISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM620153
|
Local ready
Direct docking supported
|
|
E3L031012
BDB031012
|
BDBM620165
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC3(CCCC3)[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H38N4O3S 498.693000 |
BVHJPUBVACYZJR-MPQLGERFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM620165
|
Local ready
Direct docking supported
|
|
E3L031013
BDB031013
|
BDBM620168
CN[C@@H](C)C(=O)N[C@H]1CCOC2CC3(CC=CC3)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H36N4O4 480.609000 |
RSJCHSVTXILJJN-OAPLPFNWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM620168
|
Local ready
Direct docking supported
|
|
E3L031014
BDB031014
|
BDBM620169
CN[C@@H](C)C(=O)N[C@H]1CCOC2CC3(CCCC3)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H38N4O4 482.625000 |
OXRCNGFIXLNXEZ-OAPLPFNWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM620169
|
Local ready
Direct docking supported
|
|
E3L031015
BDB031015
|
US20230303553, Example 1
CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5ncsc5c4)n3)nc2)CC1
|
C23H22FN7OS 463.542000 |
SDQPABOSBRYYPV-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM620995; PubChem:CID169073876
|
Local ready
Direct docking supported
|
|
E3L031016
BDB031016
|
US20230303553, Example 19
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C28H33FN8S 532.693000 |
BIQADQASLLQRRS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM620998; PubChem:CID169073886
|
Local ready
Direct docking supported
|
|
E3L031017
BDB031017
|
US20230303553, Example 20
CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C31H37FN8O2S 604.756000 |
NKOHTLXWFXTQCS-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621002; PubChem:CID169073848
|
Local ready
Direct docking supported
|
|
E3L031018
BDB031018
|
US20230303553, Example 21
Fc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
|
C26H29FN8S 504.639000 |
AUSDRYPYNGBOOX-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621005; PubChem:CID169073900
|
Local ready
Direct docking supported
|
|
E3L031019
BDB031019
|
US20230303553, Example 39
CC(C)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(N(C)C)sc5c4)n3)nc2)CC1
|
C26H29FN8OS 520.638000 |
UKLWPHGHSYZRHP-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621006; PubChem:CID169073916
|
Local ready
Direct docking supported
|
|
E3L031020
BDB031020
|
US20230303553, Example 22
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4ccc5nc(NC6CCCC6)sc5c4)n3)nc2)CC1
|
C31H35FN8O3S 618.739000 |
ACCOQUITGBZNIB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM621008; PubChem:CID169073865
|
Local ready
Direct docking supported
|