| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025481
BDB025481
|
US11312723, Example 159
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C(F)F)CC2
|
C17H18F3N5O3S 429.424000 |
NOJVEGJKRNVDSB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551988; PubChem:CID148664142
|
Local ready
Direct docking supported
|
|
E3L025482
BDB025482
|
US11312723, Example 160
Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1CCN(S(=O)(=O)C(F)F)C2
|
C17H18F3N5O3S 429.424000 |
RDRKCXBIJZUGJB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551989; PubChem:CID149133884
|
Local ready
Direct docking supported
|
|
E3L025483
BDB025483
|
US11312723, Example 161
CCN1CCc2c(nn(C(=O)C3CCNc4ccc(Cl)cc43)c2N)C1
|
C18H22ClN5O 359.861000 |
WPVCBDPTADGRBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551990; PubChem:CID153232402
|
Local ready
Direct docking supported
|
|
E3L025484
BDB025484
|
US11312723, Example 162
CCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(Cl)cc43)c2C1
|
C18H22ClN5O 359.861000 |
LPGKDPVOOUCOCU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551991; PubChem:CID148387134
|
Local ready
Direct docking supported
|
|
E3L025485
BDB025485
|
US11312723, Example 163
CCN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
|
C18H22FN5O 343.406000 |
PFFZJHNRGQEDJD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551992; PubChem:CID148892673
|
Local ready
Direct docking supported
|
|
E3L025486
BDB025486
|
US11312723, Example 164
CCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
|
C18H22FN5O 343.406000 |
ZZSHJGGVLDCXDM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551993; PubChem:CID155316127
|
Local ready
Direct docking supported
|
|
E3L025487
BDB025487
|
US11312723, Example 165
CCN1CCc2c(nn(C(=O)[C@H]3CCNc4ccc(F)cc43)c2N)C1
|
C18H22FN5O 343.406000 |
PFFZJHNRGQEDJD-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551994; PubChem:CID155316130
|
Local ready
Direct docking supported
|
|
E3L025488
BDB025488
|
US11312723, Example 166
CCN1CCc2c(nn(C(=O)[C@@H]3CCNc4ccc(F)cc43)c2N)C1
|
C18H22FN5O 343.406000 |
PFFZJHNRGQEDJD-GFCCVEGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551995; PubChem:CID155316141
|
Local ready
Direct docking supported
|
|
E3L025489
BDB025489
|
US11312723, Example 167
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(c1ccccn1)CC2
|
C21H21FN6O 392.438000 |
HYVATYXUGLBXGM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551996; PubChem:CID147872166
|
Local ready
Direct docking supported
|
|
E3L025490
BDB025490
|
US11312723, Example 168
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(-c5ccncc5)cc43)c2N)C1
|
C22H24N6O3S 452.540000 |
ACAWLKYTOORDBS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551997; PubChem:CID146914879
|
Local ready
Direct docking supported
|
|
E3L025491
BDB025491
|
US11312723, Example 169
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(-c5ccncc5)cc43)c2C1
|
C22H24N6O3S 452.540000 |
HSNVDHGKXQURLT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551998; PubChem:CID147838736
|
Local ready
Direct docking supported
|
|
E3L025492
BDB025492
|
US11312723, Example 170
CCN1CCc2c(nn(C(=O)[C@H]3CCNc4c(C)cc(F)cc43)c2N)C1
|
C19H24FN5O 357.433000 |
ZAHJJPHLQDHTND-ZDUSSCGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551999; PubChem:CID155316150
|
Local ready
Direct docking supported
|
|
E3L025493
BDB025493
|
US11312723, Example 171
CCN1CCc2c(nn(C(=O)[C@@H]3CCNc4c(C)cc(F)cc43)c2N)C1
|
C19H24FN5O 357.433000 |
ZAHJJPHLQDHTND-CYBMUJFWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552000; PubChem:CID155316102
|
Local ready
Direct docking supported
|
|
E3L025494
BDB025494
|
US11312723, Example 172
CCN1CCc2c(N)nn(C(=O)C3CCNc4c(C)cc(F)cc43)c2C1
|
C19H24FN5O 357.433000 |
GQLSIPVIJZYUTF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552001; PubChem:CID155316123
|
Local ready
Direct docking supported
|
|
E3L025495
BDB025495
|
US11312723, Example 173
CCN1CCc2c(nn(C(=O)[C@H]3CCNc4c(C)cccc43)c2N)C1
|
C19H25N5O 339.443000 |
FLGAWSGCLBFBRY-AWEZNQCLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552002; PubChem:CID155316134
|
Local ready
Direct docking supported
|
|
E3L025496
BDB025496
|
US11312723, Example 174
CCN1CCc2c(nn(C(=O)[C@@H]3CCNc4c(C)cccc43)c2N)C1
|
C19H25N5O 339.443000 |
FLGAWSGCLBFBRY-CQSZACIVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552003; PubChem:CID155316116
|
Local ready
Direct docking supported
|
|
E3L025497
BDB025497
|
US11312723, Example 175
CCN1CCc2c(N)nn(C(=O)C3CCNc4c(C)cccc43)c2C1
|
C19H25N5O 339.443000 |
PMFTTZLUAHTUDS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552004; PubChem:CID148932596
|
Local ready
Direct docking supported
|
|
E3L025498
BDB025498
|
US11312723, Example 176
Cc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCNC2
|
C17H21N5O 311.389000 |
JNGNIQHBMMMQMF-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552005; PubChem:CID155316142
|
Local ready
Direct docking supported
|
|
E3L025499
BDB025499
|
US11312723, Example 177
Cc1cccc2c1NCC[C@H]2C(=O)n1nc2c(c1N)CCNC2
|
C17H21N5O 311.389000 |
JNGNIQHBMMMQMF-GFCCVEGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552006; PubChem:CID155316117
|
Local ready
Direct docking supported
|
|
E3L025500
BDB025500
|
US11312723, Example 178
Cc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CNCC2
|
C17H21N5O 311.389000 |
UQQQYIBPECGZAL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552007; PubChem:CID155316121
|
Local ready
Direct docking supported
|