| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025501
BDB025501
|
US11312723, Example 180
Cc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCN(S(=O)(=O)N(C)C)C2
|
C19H26N6O3S 418.523000 |
MEOHYNWFJYZTKD-AWEZNQCLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552008; PubChem:CID155643100
|
Local ready
Direct docking supported
|
|
E3L025502
BDB025502
|
US11312723, Example 182
Cc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCN(S(=O)(=O)C1CCC1)C2
|
C21H27N5O3S 429.546000 |
HHNVEFDDKNSNJO-INIZCTEOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552009; PubChem:CID155316125
|
Local ready
Direct docking supported
|
|
E3L025503
BDB025503
|
US11312723, Example 183
Cc1cccc2c1NCC[C@H]2C(=O)n1nc2c(c1N)CCN(S(=O)(=O)C1CCC1)C2
|
C21H27N5O3S 429.546000 |
HHNVEFDDKNSNJO-MRXNPFEDSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552010; PubChem:CID155316145
|
Local ready
Direct docking supported
|
|
E3L025504
BDB025504
|
US11312723, Example 184
Cc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(=O)(=O)C1CCC1)CC2
|
C21H27N5O3S 429.546000 |
LIAWKYWPOZAOBM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552011; PubChem:CID155330772
|
Local ready
Direct docking supported
|
|
E3L025505
BDB025505
|
US11312723, Example 185
Cc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCN(S(=O)(=O)C1COC1)C2
|
C20H25N5O4S 431.518000 |
IVDSIDYYRCHIKJ-HNNXBMFYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552012; PubChem:CID155316146
|
Local ready
Direct docking supported
|
|
E3L025506
BDB025506
|
US11312723, Example 186
Cc1cccc2c1NCC[C@H]2C(=O)n1nc2c(c1N)CCN(S(=O)(=O)C1COC1)C2
|
C20H25N5O4S 431.518000 |
IVDSIDYYRCHIKJ-OAHLLOKOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552013; PubChem:CID155316107
|
Local ready
Direct docking supported
|
|
E3L025507
BDB025507
|
US11312723, Example 187
Cc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(=O)(=O)C1COC1)CC2
|
C20H25N5O4S 431.518000 |
OYYDSSSOBYYMPI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552014; PubChem:CID148858990
|
Local ready
Direct docking supported
|
|
E3L025508
BDB025508
|
US11312723, Example 188
Cc1cccc2c1NCCC2C(=O)n1nc2c(c1N)COCC2
|
C17H20N4O2 312.373000 |
ZXHANPDQLTYXJP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552015; PubChem:CID155316140
|
Local ready
Direct docking supported
|
|
E3L025509
BDB025509
|
US11312723, Example 189
Cc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CCOC2
|
C17H20N4O2 312.373000 |
FKNXUEYRMURPLY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552016; PubChem:CID155316138
|
Local ready
Direct docking supported
|
|
E3L025510
BDB025510
|
US11312723, Example 190
Cc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)COCC2
|
C17H20N4O2 312.373000 |
ZXHANPDQLTYXJP-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552017; PubChem:CID155316112
|
Local ready
Direct docking supported
|
|
E3L025511
BDB025511
|
US11312723, Example 192
Cc1cc(F)cc2c1NCC[C@H]2C(=O)n1nc2c(c1N)COCC2
|
C17H19FN4O2 330.363000 |
IYOIFBAFGMVXQJ-LLVKDONJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552018; PubChem:CID155316099
|
Local ready
Direct docking supported
|
|
E3L025512
BDB025512
|
US11312723, Example 193
Cc1cc(F)cc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)COCC2
|
C17H19FN4O2 330.363000 |
IYOIFBAFGMVXQJ-NSHDSACASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552019; PubChem:CID155316137
|
Local ready
Direct docking supported
|
|
E3L025513
BDB025513
|
US11312723, Example 194
Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)COCC2
|
C16H17FN4O2 316.336000 |
AOEYMISDWDSSAQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552020; PubChem:CID146980463
|
Local ready
Direct docking supported
|
|
E3L025514
BDB025514
|
US11312723, Example 196
Nc1c2c(nn1C(=O)[C@H]1CCNc3ccc(F)cc31)COCC2
|
C16H17FN4O2 316.336000 |
AOEYMISDWDSSAQ-JTQLQIEISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552021; PubChem:CID155316135
|
Local ready
Direct docking supported
|
|
E3L025515
BDB025515
|
US11312723, Example 197
Nc1c2c(nn1C(=O)[C@@H]1CCNc3ccc(F)cc31)COCC2
|
C16H17FN4O2 316.336000 |
AOEYMISDWDSSAQ-SNVBAGLBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552022; PubChem:CID155316100
|
Local ready
Direct docking supported
|
|
E3L025516
BDB025516
|
US11312723, Example 198
Cc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCOC2
|
C17H20N4O2 312.373000 |
GUUVTRHJNDPAJL-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552023; PubChem:CID155316139
|
Local ready
Direct docking supported
|
|
E3L025517
BDB025517
|
US11312723, Example 199
Cc1cccc2c1NCC[C@H]2C(=O)n1nc2c(c1N)CCOC2
|
C17H20N4O2 312.373000 |
GUUVTRHJNDPAJL-GFCCVEGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552024; PubChem:CID155316351
|
Local ready
Direct docking supported
|
|
E3L025518
BDB025518
|
US11312723, Example 200
Cc1cccc2c1NCCC2C(=O)n1nc(N)c2c1COCC2
|
C17H20N4O2 312.373000 |
HVSDYLSRFOWGCC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552025; PubChem:CID147855809
|
Local ready
Direct docking supported
|
|
E3L025519
BDB025519
|
US11312723, Example 201
Nc1c2c(nn1C(=O)[C@@H]1CCNc3c(Cl)cccc31)COCC2
|
C16H17ClN4O2 332.791000 |
GTINRKKTNCYCPM-SNVBAGLBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552026; PubChem:CID155316234
|
Local ready
Direct docking supported
|
|
E3L025520
BDB025520
|
US11312723, Example 202
Nc1c2c(nn1C(=O)[C@H]1CCNc3c(Cl)cccc31)COCC2
|
C16H17ClN4O2 332.791000 |
GTINRKKTNCYCPM-JTQLQIEISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM552027; PubChem:CID155316128
|
Local ready
Direct docking supported
|