| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025461
BDB025461
|
US11312723, Example 138
CC(C)(C)S(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
|
C20H26FN5O3S 435.525000 |
NIPMXZWNFKJAOZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551968; PubChem:CID148633521
|
Local ready
Direct docking supported
|
|
E3L025462
BDB025462
|
US11312723, Example 139
CC(C)(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
|
C20H26FN5O3S 435.525000 |
TXDKJENRDUMEGY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551969; PubChem:CID152859003
|
Local ready
Direct docking supported
|
|
E3L025463
BDB025463
|
US11312723, Example 140
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)CF)CC2
|
C17H19F2N5O3S 411.434000 |
TUJKMUOANMPTFL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551970; PubChem:CID152847193
|
Local ready
Direct docking supported
|
|
E3L025464
BDB025464
|
US11312723, Example 141
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1CCN(S(=O)(=O)CF)C2
|
C17H19F2N5O3S 411.434000 |
QJKCJVKZSONYDO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551971; PubChem:CID149048770
|
Local ready
Direct docking supported
|
|
E3L025465
BDB025465
|
US11312723, Example 142
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)CC(F)F)CC2
|
C18H20F3N5O3S 443.451000 |
ZXPWIPSNDQJDOQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551972; PubChem:CID149589490
|
Local ready
Direct docking supported
|
|
E3L025466
BDB025466
|
US11312723, Example 143
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1CCN(S(=O)(=O)CC(F)F)C2
|
C18H20F3N5O3S 443.451000 |
VOEQSNUSTSELBO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551973; PubChem:CID153085824
|
Local ready
Direct docking supported
|
|
E3L025467
BDB025467
|
US11312723, Example 144
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C1CC1)CC2
|
C19H22FN5O3S 419.482000 |
APDFQIOWBBCWDW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551974; PubChem:CID146985416
|
Local ready
Direct docking supported
|
|
E3L025468
BDB025468
|
US11312723, Example 146
Nc1c2c(nn1C(=O)[C@H]1CCNc3ccc(F)cc31)CNCC2
|
C16H18FN5O 315.352000 |
QTHPOLXYMXFKAS-JTQLQIEISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551975; PubChem:CID155316148
|
Local ready
Direct docking supported
|
|
E3L025469
BDB025469
|
US11312723, Example 147
Nc1c2c(nn1C(=O)[C@@H]1CCNc3ccc(F)cc31)CNCC2
|
C16H18FN5O 315.352000 |
QTHPOLXYMXFKAS-SNVBAGLBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551976; PubChem:CID155316129
|
Local ready
Direct docking supported
|
|
E3L025470
BDB025470
|
US11312723, Example 148
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1CCNC2
|
C16H18FN5O 315.352000 |
NMKGQZGJYTVSMR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551977; PubChem:CID155316113
|
Local ready
Direct docking supported
|
|
E3L025471
BDB025471
|
US11312723, Example 149
CCCN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
|
C19H24FN5O 357.433000 |
BYIVOTSAQOTIOU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551978; PubChem:CID147174400
|
Local ready
Direct docking supported
|
|
E3L025472
BDB025472
|
US11312723, Example 150
CCCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
|
C19H24FN5O 357.433000 |
OAZMTUINZJZHLE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551979; PubChem:CID148731193
|
Local ready
Direct docking supported
|
|
E3L025473
BDB025473
|
US11312723, Example 151
CC(C)N1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
|
C19H24FN5O 357.433000 |
FMWQFECCGFXVDT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551980; PubChem:CID147530237
|
Local ready
Direct docking supported
|
|
E3L025474
BDB025474
|
US11312723, Example 152
CC(C)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
|
C19H24FN5O 357.433000 |
UGVAGXOEZYXYBD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551981; PubChem:CID152909004
|
Local ready
Direct docking supported
|
|
E3L025475
BDB025475
|
US11312723, Example 153
CC(C)CN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
|
C20H26FN5O 371.460000 |
SFRGKWFIDHLXHW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551982; PubChem:CID146839019
|
Local ready
Direct docking supported
|
|
E3L025476
BDB025476
|
US11312723, Example 154
CC(C)CN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
|
C20H26FN5O 371.460000 |
YIYXGCUTIODZBC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551983; PubChem:CID149366584
|
Local ready
Direct docking supported
|
|
E3L025477
BDB025477
|
US11312723, Example 155
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)c1ccncc1)CC2
|
C21H21FN6O3S 456.503000 |
JBZKGFOQXYRLRD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551984; PubChem:CID155316152
|
Local ready
Direct docking supported
|
|
E3L025478
BDB025478
|
US11312723, Example 156
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1CCN(S(=O)(=O)c1ccncc1)C2
|
C21H21FN6O3S 456.503000 |
ZCIURWZTLPQZFP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551985; PubChem:CID155316155
|
Local ready
Direct docking supported
|
|
E3L025479
BDB025479
|
US11312723, Example 157
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)c1cccnc1)CC2
|
C21H21FN6O3S 456.503000 |
KDAUBPGNLIBCAR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551986; PubChem:CID155316144
|
Local ready
Direct docking supported
|
|
E3L025480
BDB025480
|
US11312723, Example 158
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1CCN(S(=O)(=O)c1cccnc1)C2
|
C21H21FN6O3S 456.503000 |
OQWQXNIILLFCTO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551987; PubChem:CID148816229
|
Local ready
Direct docking supported
|