| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032001
BDB032001
|
BDBM636822
CNS(=O)(=O)Nc1ccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)cc1
|
C24H25FIN5O5S 641.463000 |
BWURHGFFSMYTFY-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636822; PubChem:CID169552230
|
Local ready
Direct docking supported
|
|
E3L032002
BDB032002
|
BDBM636823
Cc1c(Oc2cccc(N)c2Cl)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C23H21ClFIN4O3 582.801000 |
MQEMRWYENFPPGL-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636823; PubChem:CID169552231
|
Local ready
Direct docking supported
|
|
E3L032003
BDB032003
|
BDBM636824
CNS(=O)(=O)Nc1cccc(Oc2c(C(=O)NC(C)C)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1Cl
|
C24H26ClFIN5O5S 677.924000 |
AKQQOBJICJZGQO-UHFFFAOYSA-N | Q13233 | RAF proto-oncogene serine/threonine-protein kinase |
BindingDB, PubChem
BindingDB:BDBM636824; PubChem:CID169552232
|
Local ready
Direct docking supported
|
|
E3L032004
BDB032004
|
BDBM636825
CCNC(=O)c1c(Oc2cccc(NS(=O)(=O)NC)c2Cl)c(C)c(=O)n(C)c1Nc1ccc(I)cc1F
|
C23H24ClFIN5O5S 663.897000 |
DENCXNARUBRERV-UHFFFAOYSA-N | Q13233 | RAF proto-oncogene serine/threonine-protein kinase |
BindingDB, PubChem
BindingDB:BDBM636825; PubChem:CID169552233
|
Local ready
Direct docking supported
|
|
E3L032005
BDB032005
|
BDBM636826
CNS(=O)(=O)Nc1cccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1OC(F)(F)F
|
C25H24F4IN5O6S 725.459000 |
ZAZYKFYTDLLIJO-UHFFFAOYSA-N | Q13233 | RAF proto-oncogene serine/threonine-protein kinase |
BindingDB, PubChem
BindingDB:BDBM636826; PubChem:CID169552234
|
Local ready
Direct docking supported
|
|
E3L032006
BDB032006
|
Pocenbrodib
COC(=O)N1c2ccc3c(nc([C@H](O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C
|
C28H32FN3O6 525.577000 |
NOUKMOKAEKAWKS-FSEQIFNCSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM645365; PubChem:CID138472434
|
Local ready
Direct docking supported
|
|
E3L032007
BDB032007
|
BDBM645373
COC(=O)N1c2ccc3c(nc([C@@H](O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C
|
C28H32FN3O6 525.577000 |
NOUKMOKAEKAWKS-MDYHQDDESA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM645373
|
Local ready
Direct docking supported
|
|
E3L032008
BDB032008
|
BDBM645375
COC(=O)[C@@H]1CCC[C@@H](Nc2ccc3c(c2NC(=O)[C@H](O)c2ccccc2)CC[C@H](C)N3C(=O)OC)C1
|
C28H35N3O6 509.603000 |
HMHPLQATEMXHAU-LOJFUVEFSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM645375; PubChem:CID138478857
|
Local ready
Direct docking supported
|
|
E3L032009
BDB032009
|
US11911372, Example 1
COc1ccc(Br)cc1-c1cc(NS(=O)(=O)c2c(OC)cccc2OC)no1
|
C18H17BrN2O6S 469.313000 |
KWEPXAZOPDTPLV-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM646444; PubChem:CID153380979
|
Local ready
Direct docking supported
|
|
E3L032010
BDB032010
|
US11911372, Example 2
COc1ccccc1-c1cc(NS(=O)(=O)Cc2ccccc2)no1
|
C17H16N2O4S 344.392000 |
PXFSUJCQRFGAJS-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM646477; PubChem:CID153381115
|
Local ready
Direct docking supported
|
|
E3L032011
BDB032011
|
US11911372, Example 3
COc1ccccc1-c1cc(NS(=O)(=O)c2ccccc2)no1
|
C16H14N2O4S 330.365000 |
YGYSRFLRKNPAHH-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM646492; PubChem:CID161912982
|
Local ready
Direct docking supported
|
|
E3L032012
BDB032012
|
US11884671, Example 1
CC(=O)N1CCC(n2c(=O)n(C)c3cnc(Nc4cc5ccnnc5cc4C)nc32)CC1
|
C22H24N8O2 432.488000 |
ATRIBJHEGSUNDX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648224; PubChem:CID146275569
|
Local ready
Direct docking supported
|
|
E3L032013
BDB032013
|
US11884671, Example 2
CC(=O)N1CCC(n2c(=O)n(C)c3cnc(Nc4cc5nccnc5cc4C)nc32)CC1
|
C22H24N8O2 432.488000 |
WSJDHYJCLJSSBS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648225; PubChem:CID146275477
|
Local ready
Direct docking supported
|
|
E3L032014
BDB032014
|
US11884671, Example 3
CC(=O)N1CCC(n2c(=O)n(C)c3cnc(Nc4cc5cncnc5cc4C)nc32)CC1
|
C22H24N8O2 432.488000 |
WLYVBWNGVHSQIL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648226; PubChem:CID146275480
|
Local ready
Direct docking supported
|
|
E3L032015
BDB032015
|
US11884671, Example 4
CC(=O)N1CCC(n2c(=O)n(C)c3cnc(Nc4cc5ncc(C)nc5cc4C)nc32)CC1
|
C23H26N8O2 446.515000 |
YDMGJNNVRFAERS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648227; PubChem:CID153374034
|
Local ready
Direct docking supported
|
|
E3L032016
BDB032016
|
US11884671, Example 5
CC(=O)N1CCC(n2c(=O)n(C)c3cnc(Nc4cc5nc(C)cnc5cc4C)nc32)CC1
|
C23H26N8O2 446.515000 |
CBTGPJUJVUHJLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648228; PubChem:CID146275482
|
Local ready
Direct docking supported
|
|
E3L032017
BDB032017
|
BDBM648229
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1CC[C@H](O)CC1)c(=O)n2C
|
C22H24N6O2 404.474000 |
WGZHCNCLATVGMN-WKILWMFISA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648229
|
Local ready
Direct docking supported
|
|
E3L032018
BDB032018
|
BDBM648230
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n([C@H]1CC[C@H](O)CC1)c(=O)n2C
|
C21H23N7O2 405.462000 |
GYKYXWNQBPQNMX-SHTZXODSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648230
|
Local ready
Direct docking supported
|
|
E3L032019
BDB032019
|
US11884671, Example 8
Cc1cc2nccc(C)c2cc1Nc1ncc2c(n1)n(C1CCC(O)CC1)c(=O)n2C
|
C23H26N6O2 418.501000 |
HCCNJTZFKFGAOM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648231; PubChem:CID146275515
|
Local ready
Direct docking supported
|
|
E3L032020
BDB032020
|
BDBM648232
COc1ccnc2cc(C)c(Nc3ncc4c(n3)n([C@H]3CC[C@H](O)CC3)c(=O)n4C)cc12
|
C23H26N6O3 434.500000 |
CGGLUQHYLXZOFX-SHTZXODSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648232
|
Local ready
Direct docking supported
|