| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016421
BDB016421
|
BDBM349500
CN/C=C(\C=N)c1cc2c(cc1C(F)F)N(c1cccc3c1N[C@H](C)CC(=O)N3)CC[C@@H]2C
|
C25H29F2N5O 453.537000 |
TVFZSBFYTFXALS-UDWCLMQNSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM349500
|
Local ready
Direct docking supported
|
|
E3L016422
BDB016422
|
BDBM349501
CN/C=C(\C=N)c1cc2c(cc1C(F)F)N(c1cccc3c1N[C@H](C)CC(=O)N3)C[C@@H](C)C2
|
C25H29F2N5O 453.537000 |
FYJYBWQZXKKEEZ-JYRHQTBMSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM349501
|
Local ready
Direct docking supported
|
|
E3L016423
BDB016423
|
BDBM349502
CN/C=C(\C=N)c1cc2c(cc1C(F)F)N(c1cccc3c1N[C@H](C)CC(=O)N3)C[C@H](C)C2
|
C25H29F2N5O 453.537000 |
FYJYBWQZXKKEEZ-LLSWIMAUSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM349502
|
Local ready
Direct docking supported
|
|
E3L016424
BDB016424
|
US10206931, Example 311
CNC(=O)c1ccc(-c2cc3c(cc2C(F)F)N(c2cccc4c2N[C@H](C)CC(=O)N4)CCC3)cn1
|
C27H27F2N5O2 491.542000 |
ASOOEBGVJHYSNN-OAHLLOKOSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM349503; PubChem:CID121271849
|
Local ready
Direct docking supported
|
|
E3L016425
BDB016425
|
BDBM349504
CN/C=C(\C=N)c1cc2cccc(-c3cccc4c3N[C@H](C)CC(=O)N4)c2cn1
|
C23H23N5O 385.471000 |
GPMVFHQNUQZTJP-DDTSFCPISA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM349504
|
Local ready
Direct docking supported
|
|
E3L016426
BDB016426
|
Bms-962212
CN1CCN(c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(C(=O)O)cc2)C(=O)C1
|
C32H28ClFN8O5 659.078000 |
WYFCZWSWFGJODV-MIANJLSGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM349975; PubChem:CID71548883
|
Local ready
Direct docking supported
|
|
E3L016427
BDB016427
|
Berzosertib
CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1
|
C24H25N5O3S 463.563000 |
JZCWLJDSIRUGIN-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM350085; PubChem:CID59472121
|
Local ready
Direct docking supported
|
|
E3L016428
BDB016428
|
BDBM350221
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC(C)C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C25H26F4IN5O5S 711.476000 |
NNHZDYBLENYVRI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM350221; PubChem:CID156808856
|
Local ready
Direct docking supported
|
|
E3L016429
BDB016429
|
BDBM350223
CC(C)ONC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3(C)CCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C27H28F4IN5O4S 721.515000 |
DNFMTAJPYCSJJR-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM350223; PubChem:CID156808782
|
Local ready
Direct docking supported
|
|
E3L016430
BDB016430
|
BDBM350231
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C21H18F4IN5O4S 639.369000 |
TXRDPXPHKUXGQL-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM350231; PubChem:CID156808838
|
Local ready
Direct docking supported
|
|
E3L016431
BDB016431
|
BDBM350232
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H22F4IN5O5S 683.422000 |
GFOXCTULQRSDEP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM350232; PubChem:CID156808824
|
Local ready
Direct docking supported
|
|
E3L016432
BDB016432
|
BDBM350233
CONC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3(C)CCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C25H24F4IN5O4S 693.461000 |
BCASZHPJDWDMSA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM350233; PubChem:CID156808834
|
Local ready
Direct docking supported
|
|
E3L016433
BDB016433
|
BDBM350352
FC(F)(F)c1ccccc1-c1ncc2c(NCc3cccs3)cccc2n1
|
C20H14F3N3S 385.414000 |
FCBOEFPOHLIOJK-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350352; PubChem:CID139208725
|
Local ready
Direct docking supported
|
|
E3L016434
BDB016434
|
BDBM350353
FC(F)(F)c1ccccc1-c1ncc2c(NCc3ccccc3)cccc2n1
|
C22H16F3N3 379.385000 |
HZJAXVKEDVBEAB-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350353; PubChem:CID139208726
|
Local ready
Direct docking supported
|
|
E3L016435
BDB016435
|
BDBM350354
FC(F)(F)c1ccccc1-c1ncc2c(NCc3ccc(-c4ccccc4)cc3)cccc2n1
|
C28H20F3N3 455.483000 |
PHGXLORYJCMCMM-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350354; PubChem:CID139208727
|
Local ready
Direct docking supported
|
|
E3L016436
BDB016436
|
BDBM350355
FC(F)(F)c1ccccc1-c1ncc2c(NCc3ccc4c(c3)OCO4)cccc2n1
|
C23H16F3N3O2 423.394000 |
UZSYVKYVXQHCDS-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350355; PubChem:CID139208728
|
Local ready
Direct docking supported
|
|
E3L016437
BDB016437
|
BDBM350356
COc1ccc(CNc2cccc3nc(-c4ccccc4C(F)(F)F)ncc23)cc1
|
C23H18F3N3O 409.411000 |
OPKBXYRZLLZSAF-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350356; PubChem:CID139208729
|
Local ready
Direct docking supported
|
|
E3L016438
BDB016438
|
BDBM350357
Fc1ccc(CNc2cccc3nc(-c4ccccc4C(F)(F)F)ncc23)cc1
|
C22H15F4N3 397.375000 |
XAFYPGUXUPKPMS-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350357; PubChem:CID139208730
|
Local ready
Direct docking supported
|
|
E3L016439
BDB016439
|
BDBM350359
FC(F)(F)c1ccccc1-c1ncc2c(NCc3ccc(Cl)cc3)cccc2n1
|
C22H15ClF3N3 413.830000 |
HOOXGGNIWQLPCO-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350359; PubChem:CID139208732
|
Local ready
Direct docking supported
|
|
E3L016440
BDB016440
|
BDBM350360
FC(F)(F)c1ccc(CNc2cccc3nc(-c4ccccc4C(F)(F)F)ncc23)cc1
|
C23H15F6N3 447.382000 |
WIPCUUYZMIHLKO-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM350360; PubChem:CID139208733
|
Local ready
Direct docking supported
|