| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032321
BDB032321
|
US20240059691, Example 1283
FC(F)(F)c1nnc2n1CCN(c1ccc(CNc3ccc4cnccc4c3)cn1)C2
|
C21H18F3N7 425.418000 |
NWQFBSICCGLHCE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652549; PubChem:CID171362729
|
Local ready
Direct docking supported
|
|
E3L032322
BDB032322
|
US20240059691, Example 1284
Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)ccc1CNc1cccc2c(N)nccc12
|
C22H21F3N8 454.460000 |
BGYKTPXLTQILOF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652550; PubChem:CID171362730
|
Local ready
Direct docking supported
|
|
E3L032323
BDB032323
|
US20240059691, Example 1285
CC1c2nnc(C(F)(F)F)n2CCN1c1ccc(CNc2cccc3c(N)nccc23)cn1
|
C22H21F3N8 454.460000 |
BKGCNONNVNNPCJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652551; PubChem:CID171362731
|
Local ready
Direct docking supported
|
|
E3L032324
BDB032324
|
US20240059691, Example 1286
Cn1ncc2c1CCN(c1ccc(CNc3cccc4c(N)nccc34)cn1)C2
|
C22H23N7 385.475000 |
XZQLWSAQKCFLPX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652552; PubChem:CID171362732
|
Local ready
Direct docking supported
|
|
E3L032325
BDB032325
|
US20240059691, Example 1287
CC1CN(c2ccc(CNc3cccc4c(N)nccc34)cn2)Cc2nnc(C(F)(F)F)n21
|
C22H21F3N8 454.460000 |
GLWZFGZVOWCXPQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652553; PubChem:CID171362733
|
Local ready
Direct docking supported
|
|
E3L032326
BDB032326
|
US20240059691, Example 1291
CC(C)(O)c1cn(-c2ccc(CNc3cccc4c(N)nccc34)cn2)nn1
|
C20H21N7O 375.436000 |
CDYZNSWIRQYQNB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652554; PubChem:CID171362734
|
Local ready
Direct docking supported
|
|
E3L032327
BDB032327
|
US20240059691, Example 1294
C[C@@H]1c2nnc(C(F)(F)F)n2CCN1c1ccc(CNc2cccc3c(N)nccc23)cn1
|
C22H21F3N8 454.460000 |
BKGCNONNVNNPCJ-CYBMUJFWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652555; PubChem:CID171362735
|
Local ready
Direct docking supported
|
|
E3L032328
BDB032328
|
US20240059691, Example 1295
C[C@H]1c2nnc(C(F)(F)F)n2CCN1c1ccc(CNc2cccc3c(N)nccc23)cn1
|
C22H21F3N8 454.460000 |
BKGCNONNVNNPCJ-ZDUSSCGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652556; PubChem:CID171362736
|
Local ready
Direct docking supported
|
|
E3L032329
BDB032329
|
US20240059691, Example 1297
C[C@H]1CN(c2ccc(CNc3cccc4c(N)nccc34)cn2)Cc2nnc(C(F)(F)F)n21
|
C22H21F3N8 454.460000 |
GLWZFGZVOWCXPQ-ZDUSSCGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652558; PubChem:CID171362737
|
Local ready
Direct docking supported
|
|
E3L032330
BDB032330
|
US20240059691, Example 1298
Nc1nccc2c(NCc3ccc(N4CCn5c(nnc5C(F)(F)F)C4)nc3C(F)(F)F)cccc12
|
C22H18F6N8 508.430000 |
FTZQENZGWYGYSA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652559; PubChem:CID171362738
|
Local ready
Direct docking supported
|
|
E3L032331
BDB032331
|
US20240059691, Example 1299
Nc1nccc2c(NCc3cnc(N4CCn5c(nnc5C(F)(F)F)C4)cc3Cl)cccc12
|
C21H18ClF3N8 474.878000 |
COGDLYORVLPAJK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652560; PubChem:CID163390271
|
Local ready
Direct docking supported
|
|
E3L032332
BDB032332
|
US20240059691, Example 1300
Nc1nccc2c(NCc3ccc(N4CCn5c(nnc5C(F)(F)F)C4)cc3)cccc12
|
C22H20F3N7 439.445000 |
WDKUDBORIDKNNF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652561; PubChem:CID171362739
|
Local ready
Direct docking supported
|
|
E3L032333
BDB032333
|
US20240059691, Example 1301
Nc1nccc2c(NCc3cnc(N4CCn5c(nnc5C(F)(F)F)C4)cc3C(F)(F)F)cccc12
|
C22H18F6N8 508.430000 |
SXIFTOXSOJHIGC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652562; PubChem:CID171362740
|
Local ready
Direct docking supported
|
|
E3L032334
BDB032334
|
US20240059691, Example 1302
Cc1cc(CNc2cccc3c(N)nccc23)cnc1N1CCn2c(nnc2C(F)(F)F)C1
|
C22H21F3N8 454.460000 |
SVNOPUCNGHXZDH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652563; PubChem:CID171362741
|
Local ready
Direct docking supported
|
|
E3L032335
BDB032335
|
US20240059691, Example 1303
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2C)ncc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
VQSLCEFIEDDAEK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652564; PubChem:CID163390391
|
Local ready
Direct docking supported
|
|
E3L032336
BDB032336
|
US20240059691, Example 1304
Cc1cc(N2CCn3c(nnc3C(F)(F)F)[C@H]2C)ncc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
VQSLCEFIEDDAEK-CQSZACIVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652565; PubChem:CID169100186
|
Local ready
Direct docking supported
|
|
E3L032337
BDB032337
|
US20240059691, Example 1305
Cc1cc(N2CCn3c(nnc3C(F)(F)F)[C@@H]2C)ncc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
VQSLCEFIEDDAEK-AWEZNQCLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652566; PubChem:CID169100196
|
Local ready
Direct docking supported
|
|
E3L032338
BDB032338
|
US20240059691, Example 1307
Nc1nccc2c(NCc3cnc(N4CCn5c(nnc5C(F)(F)F)C4)cc3C3CC3)cccc12
|
C24H23F3N8 480.498000 |
UUQKDUWBLVOKMB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652567; PubChem:CID171362742
|
Local ready
Direct docking supported
|
|
E3L032339
BDB032339
|
US20240059691, Example 1308
CC(C)c1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1cccc2c(N)nccc12
|
C24H25F3N8 482.514000 |
XXUBOOYGPQPCFK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652568; PubChem:CID171362743
|
Local ready
Direct docking supported
|
|
E3L032340
BDB032340
|
US20240059691, Example 1309
CCc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
KHKMNGWOVOQDJO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652569; PubChem:CID171362744
|
Local ready
Direct docking supported
|