| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032401
BDB032401
|
US20240059691, Example 2210
CN1CCC(OCc2ccc(S(=O)(=O)Nc3ccc4c(N)nccc4c3)cc2)CC1
|
C22H26N4O3S 426.542000 |
LEWOAOIBZOMNAA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652630; PubChem:CID163390195
|
Local ready
Direct docking supported
|
|
E3L032402
BDB032402
|
US20240059691, Example 2211
Cn1ccnc1CC(=O)NCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
|
C23H23FN6O 418.476000 |
WMVZLWYOHAUGMC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652631; PubChem:CID171362781
|
Local ready
Direct docking supported
|
|
E3L032403
BDB032403
|
US20240059691, Example 2212
CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
|
C26H32FN5 433.575000 |
UMCJVSRVNNGRDY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652632; PubChem:CID163390298
|
Local ready
Direct docking supported
|
|
E3L032404
BDB032404
|
US20240059691, Example 2213
CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
|
C26H32FN5 433.575000 |
UMCJVSRVNNGRDY-NHCUHLMSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652633; PubChem:CID167098831
|
Local ready
Direct docking supported
|
|
E3L032405
BDB032405
|
US20240059691, Example 2214
CC(C)N1C[C@H]2C[C@@H]1CN2CCc1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)c(F)c1
|
C26H31ClFN5 468.020000 |
HDPSRBDROYEPJE-NHCUHLMSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652634; PubChem:CID171362782
|
Local ready
Direct docking supported
|
|
E3L032406
BDB032406
|
US20240059691, Example 2215
Nc1ncc(Cl)c2cc(NCc3ccc(CCN4CCOCC4)cc3F)ccc12
|
C22H24ClFN4O 414.912000 |
SAQOYLCNEVUQKH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652635; PubChem:CID171362783
|
Local ready
Direct docking supported
|
|
E3L032407
BDB032407
|
US20240059691, Example 2216
CC(C)N1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC1
|
C25H31FN4O 422.548000 |
DMWHRKUTGAXYTO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652636; PubChem:CID171362784
|
Local ready
Direct docking supported
|
|
E3L032408
BDB032408
|
US20240059691, Example 2252
CN1CC2(CC(OCc3ccc(CNc4ccc5c(N)nccc5c4)c(F)c3)CS2)C1
|
C24H27FN4OS 438.572000 |
JXOFQKCRUOWSBS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652637; PubChem:CID171362785
|
Local ready
Direct docking supported
|
|
E3L032409
BDB032409
|
US20240059691, Example 2253
Nc1nccc2c(NCc3ccc(N4CC5(CC(O)c6nccn65)C4)cc3)cccc12
|
C24H24N6O 412.497000 |
JIVCKBWBZVHAIV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652638; PubChem:CID171362786
|
Local ready
Direct docking supported
|
|
E3L032410
BDB032410
|
US20240059691, Example 2254
CN1[C@@H]2COC[C@H]1CC(OCc1ccc(CNc3cccc4c(N)nccc34)c(F)c1)C2
|
C25H29FN4O2 436.531000 |
KITXJRBAWLMDQM-YOFSQIOKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652639; PubChem:CID171362787
|
Local ready
Direct docking supported
|
|
E3L032411
BDB032411
|
US20240059691, Example 2256
Nc1nccc2c(NCc3ccc(N4CCn5c(nnc5C(F)(F)F)C4)cc3F)cccc12
|
C22H19F4N7 457.435000 |
IYMWBRXBVVWBRJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652640; PubChem:CID163390567
|
Local ready
Direct docking supported
|
|
E3L032412
BDB032412
|
US20240059691, Example 2257
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ccc1CNc1cccc2c(N)nccc12
|
C23H22F3N7 453.472000 |
YDADFRZUDGHJMV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652641; PubChem:CID171362788
|
Local ready
Direct docking supported
|
|
E3L032413
BDB032413
|
US20240059691, Example 3253
CN1CCC(Cn2cc(CNc3ccc4c(N)nccc4c3)cn2)CC1
|
C20H26N6 350.470000 |
UQRPGVIAENOGMG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652642; PubChem:CID163390541
|
Local ready
Direct docking supported
|
|
E3L032414
BDB032414
|
US20240059691, Example 3254
CN1CCC(CCn2cc(CNc3ccc4c(N)nccc4c3)cn2)CC1
|
C21H28N6 364.497000 |
SOTJCXRFTOZWTE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652643; PubChem:CID163390266
|
Local ready
Direct docking supported
|
|
E3L032415
BDB032415
|
US20240059691, Example 3255
CN1CCC(CCn2cc(CNc3cccc4c(N)nccc34)cn2)CC1
|
C21H28N6 364.497000 |
DLUKPZQRIWFFDH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652644; PubChem:CID163390497
|
Local ready
Direct docking supported
|
|
E3L032416
BDB032416
|
US20240059691, Example 4259
CN1CCC(Oc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
|
C21H25N5O 363.465000 |
BAPGDFQYYPBNAG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652645; PubChem:CID170928486
|
Local ready
Direct docking supported
|
|
E3L032417
BDB032417
|
US20240059691, Example 4260
CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
|
C22H27N5O 377.492000 |
LEOZSBNDFVBQQT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652646; PubChem:CID163390502
|
Local ready
Direct docking supported
|
|
E3L032418
BDB032418
|
US20240059691, Example 4261
CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
|
C22H27N5O 377.492000 |
YXPALMWXBGWOBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652647; PubChem:CID163390110
|
Local ready
Direct docking supported
|
|
E3L032419
BDB032419
|
BDBM652648
CN1CCC(COc2cc(CNc3ccc4cnccc4c3)ccn2)CC1
|
C22H26N4O 362.477000 |
YUGVXCKQXRQZMT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652648; PubChem:CID170928363
|
Local ready
Direct docking supported
|
|
E3L032420
BDB032420
|
US20240059691, Example 4263
CN1CCC(COc2cc(CNc3ccc4c(N)ncnc4c3)ccn2)CC1
|
C21H26N6O 378.480000 |
OKUVSMJFMNYWPK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652649; PubChem:CID170928428
|
Local ready
Direct docking supported
|