| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032201
BDB032201
|
US20240059691, Example 1006
Nc1nccc2cc(NCc3ccc(OCC4CCn5ccnc5C4)nc3)ccc12
|
C23H24N6O 400.486000 |
CKNZDXKTBCVSIY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652426; PubChem:CID163390232
|
Local ready
Direct docking supported
|
|
E3L032202
BDB032202
|
BDBM652427
CN1CCN(Cc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
|
C22H27N5 361.493000 |
VRLSJDRIVYKGJX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652427; PubChem:CID170928458
|
Local ready
Direct docking supported
|
|
E3L032203
BDB032203
|
BDBM652428
CN1CCC(COc2ccc(CNc3ccc4cnccc4c3)cn2)CC1
|
C22H26N4O 362.477000 |
LPENKDDSJSQSIP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652428; PubChem:CID163390374
|
Local ready
Direct docking supported
|
|
E3L032204
BDB032204
|
US20240059691, Example 1009
CN1CCC(COc2ccc(CNc3cccc4c(N)nccc34)cn2)CC1
|
C22H27N5O 377.492000 |
RTTUBFUCOXOZCQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652429; PubChem:CID163390547
|
Local ready
Direct docking supported
|
|
E3L032205
BDB032205
|
US20240059691, Example 1010
CCN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
|
C23H29N5O 391.519000 |
PRHIFYJJLKNAIF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652430; PubChem:CID170928402
|
Local ready
Direct docking supported
|
|
E3L032206
BDB032206
|
BDBM652431
CN1CCC(OCc2ccc(COc3ccc4c(N)nccc4c3)cc2)CC1
|
C23H27N3O2 377.488000 |
QDUVSTRMUNWXBX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652431; PubChem:CID163390482
|
Local ready
Direct docking supported
|
|
E3L032207
BDB032207
|
US20240059691, Example 1012
CC(C)N1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
|
C24H31N5O 405.546000 |
RBVSANJGHRPNCU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652432; PubChem:CID163390504
|
Local ready
Direct docking supported
|
|
E3L032208
BDB032208
|
US20240059691, Example 1013
CN1CCC(COc2ncc(CNc3ccc4c(N)nccc4c3)cn2)CC1
|
C21H26N6O 378.480000 |
XEVLXXSTUOLYHZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652433; PubChem:CID171362648
|
Local ready
Direct docking supported
|
|
E3L032209
BDB032209
|
BDBM652434
Nc1nccc2cc(NCc3ccc(OCc4ccncc4)nc3)ccc12
|
C21H19N5O 357.417000 |
ZHTZBFPCLWXXFT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652434; PubChem:CID170928493
|
Local ready
Direct docking supported
|
|
E3L032210
BDB032210
|
US20240059691, Example 1015
CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1=O
|
C22H25N5O2 391.475000 |
IBNYDFLJVSWRJA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652435; PubChem:CID171362649
|
Local ready
Direct docking supported
|
|
E3L032211
BDB032211
|
BDBM652436
Nc1nccc2cc(NCc3ccc(OCC4CCNCC4)nc3)ccc12
|
C21H25N5O 363.465000 |
VKKMVMGDZKPRBC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652436; PubChem:CID170928498
|
Local ready
Direct docking supported
|
|
E3L032212
BDB032212
|
US20240059691, Example 1017
CC(C)(O)CN1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1
|
C25H33N5O2 435.572000 |
AOJWBZGHZSULRI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652437; PubChem:CID163390163
|
Local ready
Direct docking supported
|
|
E3L032213
BDB032213
|
US20240059691, Example 1018
CN1CCC(COc2ccc(CCc3ccc4c(N)nccc4c3)cn2)CC1
|
C23H28N4O 376.504000 |
UILMHVXXWMZDSN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652438; PubChem:CID163390505
|
Local ready
Direct docking supported
|
|
E3L032214
BDB032214
|
US20240059691, Example 1019
CN1CCC(COc2ccc(CCc3cccc4c(N)nccc34)cn2)CC1
|
C23H28N4O 376.504000 |
XKTDDALNYPOARH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652439; PubChem:CID170928497
|
Local ready
Direct docking supported
|
|
E3L032215
BDB032215
|
US20240059691, Example 1020
CN1CCC(COc2ccc(CNc3cnc4[nH]cc(Cl)c4c3)cn2)CC1
|
C20H24ClN5O 385.899000 |
WMRSPOUNCCDVIW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652440; PubChem:CID171362650
|
Local ready
Direct docking supported
|
|
E3L032216
BDB032216
|
US20240059691, Example 1021
CN1CCC(COc2ccc(CNc3ccc4c(N)ncnc4c3)cn2)CC1
|
C21H26N6O 378.480000 |
MWKRRXJZGCNJCZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652441; PubChem:CID163390368
|
Local ready
Direct docking supported
|
|
E3L032217
BDB032217
|
US20240059691, Example 1022
CN1CCC(COc2ccc(CNc3cccc4c(N)ncnc34)cn2)CC1
|
C21H26N6O 378.480000 |
YQXLCAVXYGLNEY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652442; PubChem:CID170928427
|
Local ready
Direct docking supported
|
|
E3L032218
BDB032218
|
US20240059691, Example 1025
Cn1ccnc1CCCOc1ccc(CNc2ccc3c(N)nccc3c2)cn1
|
C22H24N6O 388.475000 |
VFHUYDMXHGWRHP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652445; PubChem:CID170928413
|
Local ready
Direct docking supported
|
|
E3L032219
BDB032219
|
US20240059691, Example 1026
CN1CCC(COc2ccc(CNc3ccc4cncc(CO)c4c3)cn2)CC1
|
C23H28N4O2 392.503000 |
IOHSRLBIWRWOHI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652446; PubChem:CID163390437
|
Local ready
Direct docking supported
|
|
E3L032220
BDB032220
|
US20240059691, Example 1027
COc1nc(OCC2CCN(C)CC2)ccc1CNc1ccc2c(N)nccc2c1
|
C23H29N5O2 407.518000 |
DUIWPUICWUPZLF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652447; PubChem:CID163390270
|
Local ready
Direct docking supported
|