| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025361
BDB025361
|
US11312723, Example 21
CCN1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C18H23N5O 325.416000 |
MLDUUCQJKVIFTD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551863; PubChem:CID148503741
|
Local ready
Direct docking supported
|
|
E3L025362
BDB025362
|
US11312723, Example 22
COc1ccc2c(c1)C(C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C18H23N5O4S 405.480000 |
RXWNGDFRBSERNG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551864; PubChem:CID146800933
|
Local ready
Direct docking supported
|
|
E3L025363
BDB025363
|
US11312723, Example 23
COc1ccc2c(c1)C(C(=O)n1nc(N)c3c1CN(S(C)(=O)=O)CC3)CCN2
|
C18H23N5O4S 405.480000 |
JTNXKAHPYMQEFM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551865; PubChem:CID148122982
|
Local ready
Direct docking supported
|
|
E3L025364
BDB025364
|
US11312723, Example 24
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(C(F)(F)F)cc43)c2N)C1
|
C18H20F3N5O3S 443.451000 |
SPINKZDEDXOEMX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551866; PubChem:CID152805136
|
Local ready
Direct docking supported
|
|
E3L025365
BDB025365
|
US11312723, Example 25
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(C(F)(F)F)cc43)c2C1
|
C18H20F3N5O3S 443.451000 |
HOYWIOSQHZBGGV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551867; PubChem:CID147819584
|
Local ready
Direct docking supported
|
|
E3L025366
BDB025366
|
US11312723, Example 26
Cn1cc2c(c1)C(C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCC2
|
C17H23N5O3S 377.470000 |
CJEORVWTYOHIEJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551868; PubChem:CID147232483
|
Local ready
Direct docking supported
|
|
E3L025367
BDB025367
|
US11312723, Example 27
Cn1cc2c(c1)C(C(=O)n1nc(N)c3c1CN(S(C)(=O)=O)CC3)CCC2
|
C17H23N5O3S 377.470000 |
PIDNAJBQGDTWBR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551869; PubChem:CID148908415
|
Local ready
Direct docking supported
|
|
E3L025368
BDB025368
|
US11312723, Example 28
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(c1ccccc1)CC2
|
C22H22FN5O 391.450000 |
WLMQBEJVLAIDSV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551870; PubChem:CID153209491
|
Local ready
Direct docking supported
|
|
E3L025369
BDB025369
|
US11312723, Example 29
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1CCN(c1ccccc1)C2
|
C22H22FN5O 391.450000 |
DVGBUGLPBBIKQB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551871; PubChem:CID147435816
|
Local ready
Direct docking supported
|
|
E3L025370
BDB025370
|
US11312723, Example 30
CCc1ccc2c(c1)C(C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C19H25N5O3S 403.508000 |
OHMDLPSPZVSXFF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551872; PubChem:CID148765991
|
Local ready
Direct docking supported
|
|
E3L025371
BDB025371
|
US11312723, Example 31
CCc1ccc2c(c1)C(C(=O)n1nc(N)c3c1CN(S(C)(=O)=O)CC3)CCN2
|
C19H25N5O3S 403.508000 |
LBSDTNGERQTEKR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551873; PubChem:CID148314495
|
Local ready
Direct docking supported
|
|
E3L025372
BDB025372
|
US11312723, Example 32
CCc1ccc2c(c1)[C@@H](C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C19H25N5O3S 403.508000 |
OHMDLPSPZVSXFF-ZDUSSCGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551874; PubChem:CID155163346
|
Local ready
Direct docking supported
|
|
E3L025373
BDB025373
|
US11312723, Example 33
CCc1ccc2c(c1)[C@H](C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C19H25N5O3S 403.508000 |
OHMDLPSPZVSXFF-CYBMUJFWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551875; PubChem:CID155163356
|
Local ready
Direct docking supported
|
|
E3L025374
BDB025374
|
US11312723, Example 34
Cc1cccc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H23N5O3S 389.481000 |
HTCSUCDYUISMCG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551876; PubChem:CID147841832
|
Local ready
Direct docking supported
|
|
E3L025375
BDB025375
|
US11312723, Example 35
Cc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H23N5O3S 389.481000 |
HTCSUCDYUISMCG-ZDUSSCGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551877; PubChem:CID155163415
|
Local ready
Direct docking supported
|
|
E3L025376
BDB025376
|
US11312723, Example 36
Cc1cccc2c1NCC[C@H]2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H23N5O3S 389.481000 |
HTCSUCDYUISMCG-CYBMUJFWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551878; PubChem:CID155163367
|
Local ready
Direct docking supported
|
|
E3L025377
BDB025377
|
US11312723, Example 37
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4c(F)cccc43)c2N)C1
|
C17H20FN5O3S 393.444000 |
PBGBNTJUCYSZTO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551879; PubChem:CID148871378
|
Local ready
Direct docking supported
|
|
E3L025378
BDB025378
|
US11312723, Example 38
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c(F)cccc43)c2C1
|
C17H20FN5O3S 393.444000 |
FXJFKLXRZXZDQA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551880; PubChem:CID147586129
|
Local ready
Direct docking supported
|
|
E3L025379
BDB025379
|
US11312723, Example 39
CC1(C)CC(C(=O)n2nc3c(c2N)CCN(S(C)(=O)=O)C3)c2ccccc2N1
|
C19H25N5O3S 403.508000 |
SHZCWYZJVONKFR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551881; PubChem:CID146849224
|
Local ready
Direct docking supported
|
|
E3L025380
BDB025380
|
US11312723, Example 41
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ncccc43)c2N)C1
|
C16H20N6O3S 376.442000 |
IAOQELCVOJALMZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551882; PubChem:CID147881802
|
Local ready
Direct docking supported
|