| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025421
BDB025421
|
US11312723, Example 93
CCN1CCc2nn(C(=O)C3CCNc4ccccc43)c(N)c2C1
|
C18H23N5O 325.416000 |
LJXRXDJQGRXZFW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551928; PubChem:CID148358696
|
Local ready
Direct docking supported
|
|
E3L025422
BDB025422
|
US11312723, Example 94
CCN1CCc2c(c(N)nn2C(=O)C2CCNc3ccccc32)C1
|
C18H23N5O 325.416000 |
YOKTXYRRJCRAAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551929; PubChem:CID149395805
|
Local ready
Direct docking supported
|
|
E3L025423
BDB025423
|
US11312723, Example 95
CC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc43)c(N)c2C1
|
C18H21N5O2 339.399000 |
RYRKADUXSJGUIX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551930; PubChem:CID152786687
|
Local ready
Direct docking supported
|
|
E3L025424
BDB025424
|
US11312723, Example 97
CN1CCc2nn(C(=O)C3CCCc4[nH]ccc43)c(N)c2C1
|
C16H21N5O 299.378000 |
DIWYMGFUYXZHAG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551931; PubChem:CID147369918
|
Local ready
Direct docking supported
|
|
E3L025425
BDB025425
|
US11312723, Example 98
CN1CCc2c(c(N)nn2C(=O)C2CCCc3[nH]ccc32)C1
|
C16H21N5O 299.378000 |
KINFLEHDQVJZQK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551932; PubChem:CID148203202
|
Local ready
Direct docking supported
|
|
E3L025426
BDB025426
|
US11312723, Example 99
CC(=O)N1CCc2c(nn(C(=O)c3cccc4[nH]c(C)cc34)c2N)C1
|
C18H19N5O2 337.383000 |
VLGUBEADTUAFOJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551933; PubChem:CID153070582
|
Local ready
Direct docking supported
|
|
E3L025427
BDB025427
|
US11312723, Example 101
Cc1cc2c(C(=O)n3nc4c(c3N)CCN(S(C)(=O)=O)C4)cccc2[nH]1
|
C17H19N5O3S 373.438000 |
KZOFMGZWOWKYMK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551934; PubChem:CID148303124
|
Local ready
Direct docking supported
|
|
E3L025428
BDB025428
|
US11312723, Example 102
Cc1cc2c(C(=O)n3nc(N)c4c3CN(S(C)(=O)=O)CC4)cccc2[nH]1
|
C17H19N5O3S 373.438000 |
CHOAZMHDHSTFQN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551935; PubChem:CID155316131
|
Local ready
Direct docking supported
|
|
E3L025429
BDB025429
|
US11312723, Example 103
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C17H21N5O3S 375.454000 |
IPIZXXQYPIZSIZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551936; PubChem:CID147960348
|
Local ready
Direct docking supported
|
|
E3L025430
BDB025430
|
US11312723, Example 104
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C17H21N5O3S 375.454000 |
ROWWPUAKOVXRPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551937; PubChem:CID155316104
|
Local ready
Direct docking supported
|
|
E3L025431
BDB025431
|
US11312723, Example 105
Nc1c2c(nn1C(=O)C1CCNc3ccccc31)CN(S(=O)(=O)c1ccccc1)CC2
|
C22H23N5O3S 437.525000 |
WRBFJWZINIIWPY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551938; PubChem:CID155316132
|
Local ready
Direct docking supported
|
|
E3L025432
BDB025432
|
US11312723, Example 106
Nc1nn(C(=O)C2CCNc3ccccc32)c2c1CCN(S(=O)(=O)c1ccccc1)C2
|
C22H23N5O3S 437.525000 |
ZIRPGQOVNGKEOD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551939; PubChem:CID155316124
|
Local ready
Direct docking supported
|
|
E3L025433
BDB025433
|
US11312723, Example 107
CC(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C18H21N5O2 339.399000 |
QRKDDGBNMCNPBY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551940; PubChem:CID155330726
|
Local ready
Direct docking supported
|
|
E3L025434
BDB025434
|
US11312723, Example 108
CC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C18H21N5O2 339.399000 |
UJQYNYBAOYRBKD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551941; PubChem:CID155330677
|
Local ready
Direct docking supported
|
|
E3L025435
BDB025435
|
US11312723, Example 109
Nc1c2c(nn1C(=O)C1CCNc3ccccc31)CN(C(=O)c1ccccc1)CC2
|
C23H23N5O2 401.470000 |
OBXXRAYHNLJUQY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551942; PubChem:CID148736161
|
Local ready
Direct docking supported
|
|
E3L025436
BDB025436
|
US11312723, Example 110
Nc1nn(C(=O)C2CCNc3ccccc32)c2c1CCN(C(=O)c1ccccc1)C2
|
C23H23N5O2 401.470000 |
QCZPZIPGLJOMRK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551943; PubChem:CID149018451
|
Local ready
Direct docking supported
|
|
E3L025437
BDB025437
|
US11312723, Example 111
CNS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C17H22N6O3S 390.469000 |
OJHYULDHFKPDSI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551944; PubChem:CID148775770
|
Local ready
Direct docking supported
|
|
E3L025438
BDB025438
|
US11312723, Example 112
CNS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C17H22N6O3S 390.469000 |
FKCHMICMAOISIC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551945; PubChem:CID155316151
|
Local ready
Direct docking supported
|
|
E3L025439
BDB025439
|
US11312723, Example 113
CNC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C18H22N6O2 354.414000 |
IRWSOJJHMJWWTP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551946; PubChem:CID155316390
|
Local ready
Direct docking supported
|
|
E3L025440
BDB025440
|
US11312723, Example 114
COC(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C18H21N5O3 355.398000 |
PGWLXGHQPXCGAD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551947; PubChem:CID155316226
|
Local ready
Direct docking supported
|