| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032341
BDB032341
|
US20240059691, Example 1310
Cc1nnc2n1CCN(c1ccc(CNc3cccc4c(N)nccc34)cn1)CC2
|
C22H24N8 400.490000 |
VUBGTMAUYWLQML-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652570; PubChem:CID171362745
|
Local ready
Direct docking supported
|
|
E3L032342
BDB032342
|
US20240059691, Example 1311
CC1Cn2c(nnc2C(F)(F)F)CN1c1ccc(CNc2cccc3c(N)nccc23)cn1
|
C22H21F3N8 454.460000 |
XJQRMRHZSXMGED-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652571; PubChem:CID163390487
|
Local ready
Direct docking supported
|
|
E3L032343
BDB032343
|
US20240059691, Example 1312
Nc1nccc2c(NCc3ccc(N4CCn5ncc(O)c5C4)nc3)cccc12
|
C21H21N7O 387.447000 |
ZVTGWYQGHKXHGR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652572; PubChem:CID171362746
|
Local ready
Direct docking supported
|
|
E3L032344
BDB032344
|
US20240059691, Example 1313
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1ccnc2[nH]c(Cl)cc12
|
C20H18ClF3N8 462.867000 |
IPMBKJBCZMJJID-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652573; PubChem:CID163390400
|
Local ready
Direct docking supported
|
|
E3L032345
BDB032345
|
US20240059691, Example 1314
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2C)ncc1CNc1ccnc2[nH]c(Cl)cc12
|
C21H20ClF3N8 476.894000 |
CBWMWWWCCMJVQL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652574; PubChem:CID163390201
|
Local ready
Direct docking supported
|
|
E3L032346
BDB032346
|
US20240059691, Example 1315
Cc1cc(N2CCn3c(nnc3C(F)(F)F)[C@H]2C)ncc1CNc1ccnc2[nH]c(Cl)cc12
|
C21H20ClF3N8 476.894000 |
CBWMWWWCCMJVQL-GFCCVEGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652575; PubChem:CID169100190
|
Local ready
Direct docking supported
|
|
E3L032347
BDB032347
|
US20240059691, Example 1316
Cc1cc(N2CCn3c(nnc3C(F)(F)F)[C@@H]2C)ncc1CNc1ccnc2[nH]c(Cl)cc12
|
C21H20ClF3N8 476.894000 |
CBWMWWWCCMJVQL-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652576; PubChem:CID169100185
|
Local ready
Direct docking supported
|
|
E3L032348
BDB032348
|
US20240059691, Example 1318
Nc1nccc2c(NCc3ccc(N4CCn5c(nnc5C(F)(F)F)C4)nc3)nccc12
|
C20H18F3N9 441.421000 |
AJNJITCNKSUDRP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652577; PubChem:CID171362747
|
Local ready
Direct docking supported
|
|
E3L032349
BDB032349
|
US20240059691, Example 1319
COCC1c2nnc(C(F)(F)F)n2CCN1c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
|
C24H25F3N8O 498.513000 |
OKKPHMPYRLURBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652578; PubChem:CID171362748
|
Local ready
Direct docking supported
|
|
E3L032350
BDB032350
|
US20240059691, Example 1320
CC[C@@H]1c2nnc(C(F)(F)F)n2CCN1c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
|
C24H25F3N8 482.514000 |
MDQGIQALRKZEIZ-LJQANCHMSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652579; PubChem:CID171362749
|
Local ready
Direct docking supported
|
|
E3L032351
BDB032351
|
US20240059691, Example 1321
CC[C@H]1c2nnc(C(F)(F)F)n2CCN1c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
|
C24H25F3N8 482.514000 |
MDQGIQALRKZEIZ-IBGZPJMESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652580; PubChem:CID171362750
|
Local ready
Direct docking supported
|
|
E3L032352
BDB032352
|
US20240059691, Example 1322
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1ccc2nccn2c1
|
C20H19F3N8 428.422000 |
GSUNEMFLRRGKFR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652581; PubChem:CID171362751
|
Local ready
Direct docking supported
|
|
E3L032353
BDB032353
|
US20240059691, Example 1323
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1ccnc(N)c1
|
C18H19F3N8 404.400000 |
KTWWCDDLRQMPJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652582; PubChem:CID171362752
|
Local ready
Direct docking supported
|
|
E3L032354
BDB032354
|
US20240059691, Example 1331
CCC1c2nnc(C(F)(F)F)n2CCN1c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
|
C24H25F3N8 482.514000 |
MDQGIQALRKZEIZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652583; PubChem:CID171362753
|
Local ready
Direct docking supported
|
|
E3L032355
BDB032355
|
US20240059691, Example 1332
CN(Cc1ccc(N2CCn3c(nnc3C(F)(F)F)C2)nc1)c1cccc2c(N)nccc12
|
C22H21F3N8 454.460000 |
KQMBIPMOCLQTTQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652584; PubChem:CID171362754
|
Local ready
Direct docking supported
|
|
E3L032356
BDB032356
|
US20240059691, Example 1333
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1ccc2c(N)nccc2c1
|
C22H21F3N8 454.460000 |
WSBPPCJZSQDBSX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652585; PubChem:CID171362755
|
Local ready
Direct docking supported
|
|
E3L032357
BDB032357
|
US20240059691, Example 1334
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1ccc2c(N)ncc(Cl)c2c1
|
C22H20ClF3N8 488.905000 |
TWSDJMWIZJBLHV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652586; PubChem:CID171362756
|
Local ready
Direct docking supported
|
|
E3L032358
BDB032358
|
US20240059691, Example 1335
Nc1nccc2c(NCc3cnc(N4CCn5c(nnc5C(F)(F)F)C4)c(CO)c3)cccc12
|
C22H21F3N8O 470.459000 |
QMKBLLYFSWTJBU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652587; PubChem:CID171362757
|
Local ready
Direct docking supported
|
|
E3L032359
BDB032359
|
US20240059691, Example 1336
CCc1nc(N2CCn3c(nnc3C(F)(F)F)C2)ccc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
OLXHVCRBTWFGAM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652588; PubChem:CID171362758
|
Local ready
Direct docking supported
|
|
E3L032360
BDB032360
|
US20240059691, Example 1337
Nc1nccc2c(NS(=O)(=O)c3ccc(N4CCn5c(nnc5C(F)(F)F)C4)nc3)cccc12
|
C20H17F3N8O2S 490.471000 |
MKWIJIXXJCKZNG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652589; PubChem:CID171362759
|
Local ready
Direct docking supported
|