| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032501
BDB032501
|
US20240059691, Example 4447
Cc1cn2c(n1)C[C@H](COc1cc(CNc3cccc4c(N)nccc34)ccn1)CC2
|
C24H26N6O 414.513000 |
PGGPSANDIMXVMM-GOSISDBHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652732; PubChem:CID171362838
|
Local ready
Direct docking supported
|
|
E3L032502
BDB032502
|
US20240059691, Example 4448
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5c(CO)cnc5C4)c3)ccc12
|
C24H25ClN6O2 464.957000 |
SWVWAZLEARISBG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652733; PubChem:CID171362839
|
Local ready
Direct docking supported
|
|
E3L032503
BDB032503
|
US20240059691, Example 4449
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5cc(CO)nc5C4)c3)ccc12
|
C24H25ClN6O2 464.957000 |
XQRKYMOJJOXHBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652734; PubChem:CID171362840
|
Local ready
Direct docking supported
|
|
E3L032504
BDB032504
|
US20240059691, Example 4450
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@H]4CCCn5ccnc54)c3)ccc12
|
C23H23ClN6O 434.931000 |
PIUDHEFNICCZME-MRXNPFEDSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652735; PubChem:CID171362841
|
Local ready
Direct docking supported
|
|
E3L032505
BDB032505
|
US20240059691, Example 4451
Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@@H]4CCCn5ccnc54)c3)ccc12
|
C23H23ClN6O 434.931000 |
PIUDHEFNICCZME-INIZCTEOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652736; PubChem:CID171362842
|
Local ready
Direct docking supported
|
|
E3L032506
BDB032506
|
US20240059691, Example 4452
Nc1nccc2c(CCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12
|
C24H25N5O 399.498000 |
GANUYKJXFODNNH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652737; PubChem:CID171362843
|
Local ready
Direct docking supported
|
|
E3L032507
BDB032507
|
BDBM652738
CN1CCC(COc2cc(N(C)c3ccc4ncc(=O)[nH]c4c3)ccn2)CC1
|
C21H25N5O2 379.464000 |
KXQJLZZKIBAROO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652738; PubChem:CID170928481
|
Local ready
Direct docking supported
|
|
E3L032508
BDB032508
|
US20240059691, Example 4459
CN1CCC(COc2cc(CNc3ccnc4[nH]ccc34)ccn2)CC1
|
C20H25N5O 351.454000 |
JYTMJESYCLLJDR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652739; PubChem:CID171362845
|
Local ready
Direct docking supported
|
|
E3L032509
BDB032509
|
US20240059691, Example 4460
CN1CCC(COc2cc(N(C)c3cnc4[nH]cc(C#N)c4c3)ccn2)CC1
|
C21H24N6O 376.464000 |
LBGKPJIADAFZOI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652740; PubChem:CID171362846
|
Local ready
Direct docking supported
|
|
E3L032510
BDB032510
|
US20240059691, Example 4461
CN1CCC(COc2cc(CNc3cccc4c(N)ncc(F)c34)ccn2)CC1
|
C22H26FN5O 395.482000 |
DVZGMBMRSZYOQY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652741; PubChem:CID171362847
|
Local ready
Direct docking supported
|
|
E3L032511
BDB032511
|
US20240059691, Example 4462
COc1cc(NCc2ccnc(OCC3CCN(C)CC3)c2)cc2ccncc12
|
C23H28N4O2 392.503000 |
VCIKYAMULKYYHT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652742; PubChem:CID171362848
|
Local ready
Direct docking supported
|
|
E3L032512
BDB032512
|
US20240059691, Example 4463
CNC(=O)c1cc(N(C)c2ccnc(OCC3CCN(C)CC3)c2)cc2ccncc12
|
C24H29N5O2 419.529000 |
OPOOBCSVRFDHBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652743; PubChem:CID171362849
|
Local ready
Direct docking supported
|
|
E3L032513
BDB032513
|
US20240059691, Example 4464
Cc1cc(NCc2ccnc(OCC3CCN(C)CC3)c2)cc2ccncc12
|
C23H28N4O 376.504000 |
HKBDZTCNUODKEC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652744; PubChem:CID171362850
|
Local ready
Direct docking supported
|
|
E3L032514
BDB032514
|
US20240059691, Example 4465
Cc1cc2c(NCc3ccnc(OCC4CCN(C)CC4)c3)ccnc2[nH]1
|
C21H27N5O 365.481000 |
HDYDEOLDSIUJSX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652745; PubChem:CID171362851
|
Local ready
Direct docking supported
|
|
E3L032515
BDB032515
|
US20240059691, Example 4466
CN1CCC(COc2cc(CNc3ccc4cnccc4c3F)ccn2)CC1
|
C22H25FN4O 380.467000 |
RCOQXBPCGJCFQX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652746; PubChem:CID171362852
|
Local ready
Direct docking supported
|
|
E3L032516
BDB032516
|
US20240059691, Example 4467
Nc1nccc2c(NCc3ccnc(OCC4CCn5c(nnc5C(F)F)C4)c3)cccc12
|
C23H23F2N7O 451.481000 |
YHMGDTWUZGOVRL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652747; PubChem:CID171362853
|
Local ready
Direct docking supported
|
|
E3L032517
BDB032517
|
US20240059691, Example 4468
Cn1c(COc2cc(CNc3cccc4c(N)nccc34)ccn2)nnc1C1CC1
|
C22H23N7O 401.474000 |
VCSMMVIIOANDQA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652748; PubChem:CID171362854
|
Local ready
Direct docking supported
|
|
E3L032518
BDB032518
|
US20240059691, Example 4469
CN1CCC(COc2cc(CNc3ccc(F)c4c(N)nccc34)ccn2)CC1
|
C22H26FN5O 395.482000 |
LSKPXPLWMKWCHU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652749; PubChem:CID171362855
|
Local ready
Direct docking supported
|
|
E3L032519
BDB032519
|
US20240059691, Example 4470
COc1ccc(NCc2ccnc(OCC3CCN(C)CC3)c2)c2ccnc(N)c12
|
C23H29N5O2 407.518000 |
OBRMYBVETQYTBA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652750; PubChem:CID171362856
|
Local ready
Direct docking supported
|
|
E3L032520
BDB032520
|
US20240059691, Example 4471
Nc1nccc2cc(NCc3ccnc(N4CCn5c(nnc5C(F)(F)F)C4)c3)ccc12
|
C21H19F3N8 440.433000 |
IRPCNDSTFGMSKM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652751; PubChem:CID171362857
|
Local ready
Direct docking supported
|