| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032241
BDB032241
|
US20240059691, Example 1102
Cc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)cc2ccncc12
|
C23H29N5 375.520000 |
ILUPZBBEIXEYJU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652469; PubChem:CID171362660
|
Local ready
Direct docking supported
|
|
E3L032242
BDB032242
|
US20240059691, Example 1103
COc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)cc2ccncc12
|
C23H29N5O 391.519000 |
JDUYWQCNVTWRCC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652470; PubChem:CID171362661
|
Local ready
Direct docking supported
|
|
E3L032243
BDB032243
|
US20240059691, Example 1118
Cc1n[nH]c2c1CCC2Nc1ccc(CNc2ccc3c(N)ncc(Cl)c3c2)cn1
|
C22H22ClN7 419.920000 |
GWKUOOOGCJIHIL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652471; PubChem:CID171362662
|
Local ready
Direct docking supported
|
|
E3L032244
BDB032244
|
US20240059691, Example 1119
Cc1n[nH]c2c1CCC2Nc1ccc(CNc2cccc3c(N)nccc23)cn1
|
C22H23N7 385.475000 |
KCYNEFNTFNRXFI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652472; PubChem:CID171362663
|
Local ready
Direct docking supported
|
|
E3L032245
BDB032245
|
US20240059691, Example 1128
Nc1nccc2c(NCc3ccc(N4CCn5ccnc5C4)nc3)cccc12
|
C21H21N7 371.448000 |
YCUHYXGBQOXOJG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652473; PubChem:CID171362664
|
Local ready
Direct docking supported
|
|
E3L032246
BDB032246
|
US20240059691, Example 1129
Nc1ncc(Cl)c2cc(NCc3ccc(N4CCn5ccnc5C4)nc3)ccc12
|
C21H20ClN7 405.893000 |
QMDJPULBAHNRPP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652474; PubChem:CID171362665
|
Local ready
Direct docking supported
|
|
E3L032247
BDB032247
|
US20240059691, Example 1130
CC(C)(O)[C@@H]1CCN(c2ccc(CNc3cccc4c(N)nccc34)cn2)C1
|
C22H27N5O 377.492000 |
RVZMGIRXGXNIQX-MRXNPFEDSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652475; PubChem:CID171362666
|
Local ready
Direct docking supported
|
|
E3L032248
BDB032248
|
US20240059691, Example 1131
CC(C)(O)[C@H]1CCN(c2ccc(CNc3cccc4c(N)nccc34)cn2)C1
|
C22H27N5O 377.492000 |
RVZMGIRXGXNIQX-INIZCTEOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652476; PubChem:CID163390317
|
Local ready
Direct docking supported
|
|
E3L032249
BDB032249
|
US20240059691, Example 1133
Nc1nccc2c(NCc3ccc(N4Cc5nccn5C(CO)C4)nc3)cccc12
|
C22H23N7O 401.474000 |
JZPODAVPOMGNMF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652477; PubChem:CID171362667
|
Local ready
Direct docking supported
|
|
E3L032250
BDB032250
|
US20240059691, Example 1135
CC(C)(O)C1CN(c2ccc(CNc3cccc4c(N)nccc34)cn2)Cc2nccn21
|
C24H27N7O 429.528000 |
HTMRVUDGLWUJCD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652478; PubChem:CID171362668
|
Local ready
Direct docking supported
|
|
E3L032251
BDB032251
|
US20240059691, Example 1137
Nc1nccc2c(NCc3ccc(N4Cc5nccn5CC4CO)nc3)cccc12
|
C22H23N7O 401.474000 |
IJQWOBZCCZVVSR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652479; PubChem:CID171362669
|
Local ready
Direct docking supported
|
|
E3L032252
BDB032252
|
US20240059691, Example 1140
Nc1nccc2c(NCc3ccc(N4CCn5ccnc5C4CO)nc3)cccc12
|
C22H23N7O 401.474000 |
ODJCCFVIXSQTJB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652480; PubChem:CID171362670
|
Local ready
Direct docking supported
|
|
E3L032253
BDB032253
|
US20240059691, Example 1150
CC1c2nccn2CCN1c1ccc(CNc2cccc3c(N)nccc23)cn1
|
C22H23N7 385.475000 |
YSHBWHHQCNCYQM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652481; PubChem:CID171362671
|
Local ready
Direct docking supported
|
|
E3L032254
BDB032254
|
US20240059691, Example 1156
Nc1nccc2c(NCc3ccc(N4CCn5nccc5C4)nc3)cccc12
|
C21H21N7 371.448000 |
IHVYENJPKMBNDT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652482; PubChem:CID171362672
|
Local ready
Direct docking supported
|
|
E3L032255
BDB032255
|
US20240059691, Example 1163
CC(C)(O)c1cn2c(n1)CN(c1ccc(CNc3cccc4c(N)nccc34)cn1)CC2
|
C24H27N7O 429.528000 |
CFABJMBLMVPGCU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652483; PubChem:CID171362673
|
Local ready
Direct docking supported
|
|
E3L032256
BDB032256
|
US20240059691, Example 1167
CC(C)(O)c1cnc2n1CCN(c1ccc(CNc3cccc4c(N)nccc34)cn1)C2
|
C24H27N7O 429.528000 |
FXLFPPCHWPIUAR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652484; PubChem:CID171362674
|
Local ready
Direct docking supported
|
|
E3L032257
BDB032257
|
BDBM652485
CN1C[C@@H]2[C@H](COc3ccc(CNc4ccc5c(N)nccc5c4)cn3)[C@@H]2C1
|
C22H25N5O 375.476000 |
LIVAVELEINFPRB-ACDBMABISA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM652485
|
Local ready
Direct docking supported
|
|
E3L032258
BDB032258
|
US20240059691, Example 1176
CC(C)(O)[C@H]1CCN(c2ccc(CNc3ccc4c(N)ncc(Cl)c4c3)cn2)C1
|
C22H26ClN5O 411.937000 |
MXLBORNZGRKMKV-HNNXBMFYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652486; PubChem:CID171362676
|
Local ready
Direct docking supported
|
|
E3L032259
BDB032259
|
US20240059691, Example 1181
Nc1nccc2c(NCc3ccc(NCCc4nccn4C(F)F)nc3)cccc12
|
C21H21F2N7 409.444000 |
LZTSERAEHCDHEM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652487; PubChem:CID171362677
|
Local ready
Direct docking supported
|
|
E3L032260
BDB032260
|
US20240059691, Example 1182
Nc1ncc(Cl)c2cc(NCc3ccc(NCCc4nccn4C(F)F)nc3)ccc12
|
C21H20ClF2N7 443.889000 |
FDVFMMRGPVOTGK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652488; PubChem:CID171362678
|
Local ready
Direct docking supported
|