| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050581
BDB050581
|
BDBM50271656
COc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1O
|
C21H15Br2N3O2 501.178000 |
PLYTVGKLRGBEEF-BHGWPJFGSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB
BindingDB:BDBM50271656
|
Local ready
Direct docking supported
|
|
E3L050582
BDB050582
|
BDBM50271657
COc1ccc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)cc1C
|
C18H16N2O4S 356.403000 |
JKAHVAHFZKSBFC-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50271657; PubChem:CID1192043
|
Local ready
Direct docking supported
|
|
E3L050583
BDB050583
|
BDBM50271658
Cc1cc(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)ccc1F
|
C17H13FN2O3S 344.367000 |
DWAINWKRTMYUJP-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50271658; PubChem:CID695909
|
Local ready
Direct docking supported
|
|
E3L050584
BDB050584
|
N-[3-(diethylamino)propyl]-4-methoxy-3-nitrobenzamide
CCN(CC)CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1
|
C15H23N3O4 309.366000 |
CGELBKRUWLJWAL-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50271659; PubChem:CID2255324
|
Local ready
Direct docking supported
|
|
E3L050585
BDB050585
|
BDBM50271660
Cc1ccc(C)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)c1
|
C18H16N2O3S 340.404000 |
FTEFWKWWPUHYIB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50271660; PubChem:CID695891
|
Local ready
Direct docking supported
|
|
E3L050586
BDB050586
|
BDBM50271661
OC(CNCc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1
|
C26H25NO2 383.491000 |
SSIYPAHHMJMQFK-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50271661; PubChem:CID4720258
|
Local ready
Direct docking supported
|
|
E3L050587
BDB050587
|
BDBM50271734
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(-c3ccc(C#N)c(C(C)C)c3)ccnc2[nH]1
|
C30H32N4O2 480.612000 |
QSTGCWGHXBTQEI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50271734; PubChem:CID145963248
|
Local ready
Direct docking supported
|
|
E3L050588
BDB050588
|
BDBM50271735
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(-c3ccc(C#N)cc3)ccnc2[nH]1
|
C26H24N4O 408.505000 |
RKUFTGVQCIAMMG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50271735; PubChem:CID145961382
|
Local ready
Direct docking supported
|
|
E3L050589
BDB050589
|
BDBM50271742
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(-c3ccc(C#N)cc3)ccnc2[nH]1
|
C27H26N4O2 438.531000 |
VNHQWALVICOHLD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50271742; PubChem:CID145960632
|
Local ready
Direct docking supported
|
|
E3L050590
BDB050590
|
BDBM50271774
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(-c3ccc(C#N)c(C(C)C)c3)ccnc2[nH]1
|
C29H30N4O 450.586000 |
XNMVNLJRNBVSOA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50271774; PubChem:CID145953992
|
Local ready
Direct docking supported
|
|
E3L050591
BDB050591
|
BDBM50272538
CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1
|
C27H36N6O7S 588.687000 |
QUIFDUAAKRRGSP-YROCYRMSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50272538; PubChem:CID44587263
|
Local ready
Direct docking supported
|
|
E3L050592
BDB050592
|
BDBM50272559
C[C@@H](O)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1
|
C25H32N6O8S 576.632000 |
BVRYSOCIONUZJI-RFVSGWPVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50272559; PubChem:CID44587291
|
Local ready
Direct docking supported
|
|
E3L050593
BDB050593
|
BDBM50272560
CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)[C@@H](C)O)C(=O)NCc1ccc(C(=N)N)cc1
|
C25H33N5O7S2 579.701000 |
AXPWDMKWJUPXPM-NQERJWCQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50272560; PubChem:CID44587292
|
Local ready
Direct docking supported
|
|
E3L050594
BDB050594
|
BDBM50272576
CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1
|
C27H37N5O6S2 591.756000 |
FTSMHGMRYKGZGU-RTFZILSDSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50272576; PubChem:CID44587314
|
Local ready
Direct docking supported
|
|
E3L050595
BDB050595
|
BDBM50272597
O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
|
C23H17Cl2NO3 426.299000 |
XIYILCWDRBCFJW-RTWAWAEBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50272597; PubChem:CID44587338
|
Local ready
Direct docking supported
|
|
E3L050596
BDB050596
|
BDBM50272861
C[S+]([O-])c1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C19H15FO3S 342.391000 |
ZJANWFSEWMXADV-MDWZMJQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272861; PubChem:CID11588179
|
Local ready
Direct docking supported
|
|
E3L050597
BDB050597
|
2-Desmethylsulindac Sulfide
CSc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C19H15FO2S 326.392000 |
NEQPIGQSLNSVDO-MDWZMJQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272862; PubChem:CID11688434
|
Local ready
Direct docking supported
|
|
E3L050598
BDB050598
|
BDBM50272901
CS(=O)(=O)c1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C19H15FO4S 358.390000 |
UQDVBDDGYONDNT-MDWZMJQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272901; PubChem:CID11710179
|
Local ready
Direct docking supported
|
|
E3L050599
BDB050599
|
BDBM50272902
O=C(O)CC1=C/C(=C\c2ccc(C(=O)O)cc2)c2ccc(F)cc21
|
C19H13FO4 324.307000 |
ZKMYIZMNTQPMDC-NTUHNPAUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272902; PubChem:CID25034259
|
Local ready
Direct docking supported
|
|
E3L050600
BDB050600
|
BDBM50272903
O=C(O)CC1=C/C(=C\c2ccc(Br)cc2)c2ccc(F)cc21
|
C18H12BrFO2 359.194000 |
ROJRYAFCVBNBDH-KPKJPENVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272903; PubChem:CID25034260
|
Local ready
Direct docking supported
|