| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032481
BDB032481
|
US20240059691, Example 4427
CN1CCN(c2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1
|
C20H23ClN6 382.899000 |
RVZGGBVSLRRBBB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652712; PubChem:CID170928358
|
Local ready
Direct docking supported
|
|
E3L032482
BDB032482
|
US20240059691, Example 4428
Nc1ncc(Cl)c2cc(NCc3ccnc(NCCC(=O)N4CCCC4)c3)ccc12
|
C22H25ClN6O 424.936000 |
MPMXSQAVVNWKKX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652713; PubChem:CID171362822
|
Local ready
Direct docking supported
|
|
E3L032483
BDB032483
|
US20240059691, Example 4429
Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ncc12
|
C22H23N7O 401.474000 |
QYAKYTAQLVVGGM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652714; PubChem:CID163390300
|
Local ready
Direct docking supported
|
|
E3L032484
BDB032484
|
US20240059691, Example 4430
Nc1nccc2c(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)cccc12
|
C23H24N6O 400.486000 |
NDQYBUYVXIWGNJ-KRWDZBQOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652715; PubChem:CID171362823
|
Local ready
Direct docking supported
|
|
E3L032485
BDB032485
|
US20240059691, Example 4431
Nc1nccc2c(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)cccc12
|
C23H24N6O 400.486000 |
NDQYBUYVXIWGNJ-QGZVFWFLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652716; PubChem:CID171362824
|
Local ready
Direct docking supported
|
|
E3L032486
BDB032486
|
US20240059691, Example 4432
Nc1ncc(Cl)c2cc(NCc3ccnc(OC4CCn5ccnc5C4)c3)ccc12
|
C22H21ClN6O 420.904000 |
ASSIORTXMOIMSW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652717; PubChem:CID171362825
|
Local ready
Direct docking supported
|
|
E3L032487
BDB032487
|
US20240059691, Example 4433
Nc1ncc(Cl)c2cc(NCc3ccnc(OCc4ccn5ccnc5c4)c3)ccc12
|
C23H19ClN6O 430.899000 |
KPCPBXOSEJYJMI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652718; PubChem:CID171362826
|
Local ready
Direct docking supported
|
|
E3L032488
BDB032488
|
US20240059691, Example 4434
Nc1nccc2cc(NCc3ccnc(-c4cccc(CN5CCCC5)c4)c3)ccc12
|
C26H27N5 409.537000 |
RJQLFWVERDFMFU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652719; PubChem:CID170928378
|
Local ready
Direct docking supported
|
|
E3L032489
BDB032489
|
US20240059691, Example 4435
CN1CC(C2CN(c3cc(CNc4ccc5c(N)nccc5c4)ccn3)C2)C1
|
C22H26N6 374.492000 |
QCLWJMUFTKLIAE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652720; PubChem:CID170928438
|
Local ready
Direct docking supported
|
|
E3L032490
BDB032490
|
US20240059691, Example 4436
Nc1nccc2c(NCc3ccnc(N4CCn5ccnc5C4)c3)cccc12
|
C21H21N7 371.448000 |
DVKBAFOJFMJCAO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652721; PubChem:CID171362827
|
Local ready
Direct docking supported
|
|
E3L032491
BDB032491
|
US20240059691, Example 4437
Nc1ncc(Cl)c2cc(NCc3ccnc(N4CCn5ccnc5C4)c3)ccc12
|
C21H20ClN7 405.893000 |
LAEZPLWSRMVDKT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652722; PubChem:CID171362828
|
Local ready
Direct docking supported
|
|
E3L032492
BDB032492
|
US20240059691, Example 4438
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)ccc12
|
C23H23ClN6O 434.931000 |
MABZHGPFQUEHHT-INIZCTEOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652723; PubChem:CID171362829
|
Local ready
Direct docking supported
|
|
E3L032493
BDB032493
|
US20240059691, Example 4439
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)ccc12
|
C23H23ClN6O 434.931000 |
MABZHGPFQUEHHT-MRXNPFEDSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652724; PubChem:CID171362830
|
Local ready
Direct docking supported
|
|
E3L032494
BDB032494
|
US20240059691, Example 4440
Cc1n[nH]c2c1CCC2Nc1cc(CNc2ccc3c(N)ncc(Cl)c3c2)ccn1
|
C22H22ClN7 419.920000 |
NPKRAKGSHBIZEI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652725; PubChem:CID171362831
|
Local ready
Direct docking supported
|
|
E3L032495
BDB032495
|
US20240059691, Example 4441
CC(C)N1CCC(CN(CCCO)C(=O)c2cccc(CNc3cccc4c(N)nccc34)c2)CC1
|
C29H39N5O2 489.664000 |
CQDVUJSXYFSSHR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652726; PubChem:CID171362832
|
Local ready
Direct docking supported
|
|
E3L032496
BDB032496
|
US20240059691, Example 4442
Cc1cn2c(n1)C[C@H](COc1cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn1)CC2
|
C24H25ClN6O 448.958000 |
CSNSELBEUILYAV-QGZVFWFLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652727; PubChem:CID171362833
|
Local ready
Direct docking supported
|
|
E3L032497
BDB032497
|
US20240059691, Example 4443
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCCn5ccnc54)c3)ccc12
|
C23H23ClN6O 434.931000 |
PIUDHEFNICCZME-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652728; PubChem:CID171362834
|
Local ready
Direct docking supported
|
|
E3L032498
BDB032498
|
US20240059691, Example 4444
Cc1cnc2n1CC[C@H](COc1cc(CNc3cccc4c(N)nccc34)ccn1)C2
|
C24H26N6O 414.513000 |
VHTYTOFIDWLOHE-SFHVURJKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652729; PubChem:CID171362835
|
Local ready
Direct docking supported
|
|
E3L032499
BDB032499
|
US20240059691, Example 4445
Cc1cnc2n1CC[C@@H](COc1cc(CNc3cccc4c(N)nccc34)ccn1)C2
|
C24H26N6O 414.513000 |
VHTYTOFIDWLOHE-GOSISDBHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652730; PubChem:CID171362836
|
Local ready
Direct docking supported
|
|
E3L032500
BDB032500
|
US20240059691, Example 4446
Cc1cn2c(n1)C[C@@H](COc1cc(CNc3cccc4c(N)nccc34)ccn1)CC2
|
C24H26N6O 414.513000 |
PGGPSANDIMXVMM-SFHVURJKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652731; PubChem:CID171362837
|
Local ready
Direct docking supported
|