| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025401
BDB025401
|
US11312723, Example 65
CCc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2
|
C19H25N5O3S 403.508000 |
HOWHRPFUMVOEQQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551905; PubChem:CID147819018
|
Local ready
Direct docking supported
|
|
E3L025402
BDB025402
|
US11312723, Example 67
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c3cccc4C(F)(F)F)c2C1
|
C18H20F3N5O3S 443.451000 |
WPRRIZXPHGBQTD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551907; PubChem:CID153231721
|
Local ready
Direct docking supported
|
|
E3L025403
BDB025403
|
US11312723, Example 69
CCc1cc(C)c2c(c1)[C@@H](C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C20H27N5O3S 417.535000 |
PONHZIIANACDEL-AWEZNQCLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551909; PubChem:CID155163277
|
Local ready
Direct docking supported
|
|
E3L025404
BDB025404
|
US11312723, Example 70
CCc1cc(C)c2c(c1)[C@H](C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C20H27N5O3S 417.535000 |
PONHZIIANACDEL-CQSZACIVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551910; PubChem:CID155163412
|
Local ready
Direct docking supported
|
|
E3L025405
BDB025405
|
US11312723, Example 71
Nc1nn(C(=O)C2CCNc3c(Cl)cccc32)c2c1CCNC2
|
C16H18ClN5O 331.807000 |
PXBXVTVZSHSDHR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551911; PubChem:CID148987716
|
Local ready
Direct docking supported
|
|
E3L025406
BDB025406
|
US11312723, Example 72
Nc1nn(C(=O)[C@H]2CCNc3c(Cl)cccc32)c2c1CCNC2
|
C16H18ClN5O 331.807000 |
PXBXVTVZSHSDHR-JTQLQIEISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551912; PubChem:CID164607538
|
Local ready
Direct docking supported
|
|
E3L025407
BDB025407
|
US11312723, Example 73
Nc1nn(C(=O)[C@@H]2CCNc3c(Cl)cccc32)c2c1CCNC2
|
C16H18ClN5O 331.807000 |
PXBXVTVZSHSDHR-SNVBAGLBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551913; PubChem:CID164607539
|
Local ready
Direct docking supported
|
|
E3L025408
BDB025408
|
US11312723, Example 74
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CCOC2
|
C16H17FN4O2 316.336000 |
RCGTZUXOELYXAD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551914; PubChem:CID146712742
|
Local ready
Direct docking supported
|
|
E3L025409
BDB025409
|
US11312723, Example 75
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1COCC2
|
C16H17FN4O2 316.336000 |
DISHGFUUSLGEPG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551915; PubChem:CID147368932
|
Local ready
Direct docking supported
|
|
E3L025410
BDB025410
|
US11312723, Example 76
Cc1cc(F)cc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCOC2
|
C17H19FN4O2 330.363000 |
VWXBJACPADKYAM-NSHDSACASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551916; PubChem:CID155163264
|
Local ready
Direct docking supported
|
|
E3L025411
BDB025411
|
US11312723, Example 77
Cc1cc(F)cc2c1NCC[C@H]2C(=O)n1nc2c(c1N)CCOC2
|
C17H19FN4O2 330.363000 |
VWXBJACPADKYAM-LLVKDONJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551917; PubChem:CID155163293
|
Local ready
Direct docking supported
|
|
E3L025412
BDB025412
|
US11312723, Example 78
Cc1cccc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2C
|
C19H25N5O3S 403.508000 |
HTPQUXPACGFSBF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551918; PubChem:CID147844475
|
Local ready
Direct docking supported
|
|
E3L025413
BDB025413
|
US11312723, Example 82
Cc1cc(F)cc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CNCC2
|
C17H20FN5O 329.379000 |
PLWNMYAAKIFQOT-NSHDSACASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551920; PubChem:CID155163304
|
Local ready
Direct docking supported
|
|
E3L025414
BDB025414
|
US11312723, Example 85
Cc1cc2c(C(=O)n3nc4c(c3N)CN(C)CC4)cccc2[nH]1
|
C17H19N5O 309.373000 |
XOWJGMYCCKCBLC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551921; PubChem:CID149258992
|
Local ready
Direct docking supported
|
|
E3L025415
BDB025415
|
US11312723, Example 86
CN1CCc2nn(C(=O)C3CCNc4ccccc43)c(N)c2C1
|
C17H21N5O 311.389000 |
SYQGDYUVBXUMRU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551922; PubChem:CID152840495
|
Local ready
Direct docking supported
|
|
E3L025416
BDB025416
|
US11312723, Example 87
COC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc43)c(N)c2C1
|
C18H21N5O3 355.398000 |
DECRNXFJLJALHT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551923; PubChem:CID147344276
|
Local ready
Direct docking supported
|
|
E3L025417
BDB025417
|
US11312723, Example 88
COC(=O)N1CCc2c(c(N)nn2C(=O)C2CCNc3ccccc32)C1
|
C18H21N5O3 355.398000 |
FASMVIXJPPMVMY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551924; PubChem:CID155316126
|
Local ready
Direct docking supported
|
|
E3L025418
BDB025418
|
US11312723, Example 89
CNC(=O)N1CCc2nn(C(=O)C3CCNc4ccccc43)c(N)c2C1
|
C18H22N6O2 354.414000 |
PNLFHSDPSSXZMZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551925; PubChem:CID155316147
|
Local ready
Direct docking supported
|
|
E3L025419
BDB025419
|
US11312723, Example 90
CNC(=O)N1CCc2c(c(N)nn2C(=O)C2CCNc3ccccc32)C1
|
C18H22N6O2 354.414000 |
TTZFDVKMSXNGQD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551926; PubChem:CID155316169
|
Local ready
Direct docking supported
|
|
E3L025420
BDB025420
|
US11312723, Example 91
CS(=O)(=O)N1CCc2nn(C(=O)C3CCNc4ccccc43)c(N)c2C1
|
C17H21N5O3S 375.454000 |
WLDNRHLRDGAFKA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551927; PubChem:CID153207642
|
Local ready
Direct docking supported
|