| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032461
BDB032461
|
US20240059691, Example 4319
Cc1cn2c(n1)CC(COc1cc(CNc3cccc4c(N)nccc34)ccn1)CC2
|
C24H26N6O 414.513000 |
PGGPSANDIMXVMM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652691; PubChem:CID163390276
|
Local ready
Direct docking supported
|
|
E3L032462
BDB032462
|
US20240059691, Example 4320
Cc1cnc2n1CCC(COc1cc(CNc3cccc4c(N)nccc34)ccn1)C2
|
C24H26N6O 414.513000 |
VHTYTOFIDWLOHE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652692; PubChem:CID163390197
|
Local ready
Direct docking supported
|
|
E3L032463
BDB032463
|
US20240059691, Example 4409
CN1CCC(CCc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
|
C23H29N5 375.520000 |
MYZFWKPZRQTGDE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652694; PubChem:CID170928374
|
Local ready
Direct docking supported
|
|
E3L032464
BDB032464
|
US20240059691, Example 4410
CN1CCC(CCc2cccc(CNc3ccc4c(N)nccc4c3)c2)CC1
|
C24H30N4 374.532000 |
QUBLOCCBHUAIEQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652695; PubChem:CID170928446
|
Local ready
Direct docking supported
|
|
E3L032465
BDB032465
|
US20240059691, Example 4411
Nc1nccc2cc(NCc3ccnc(OCC4CCn5cnnc5C4)c3)ccc12
|
C22H23N7O 401.474000 |
IXAPTUBRKHJHFS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652696; PubChem:CID171362812
|
Local ready
Direct docking supported
|
|
E3L032466
BDB032466
|
US20240059691, Example 4412
Nc1nccc2cc(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)ccc12
|
C23H24N6O 400.486000 |
RNYFAJPMYTZRIV-QGZVFWFLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652697; PubChem:CID167098813
|
Local ready
Direct docking supported
|
|
E3L032467
BDB032467
|
US20240059691, Example 4413
Cc1nnc2n1CCC(COc1cc(CNc3ccc4c(N)nccc4c3)ccn1)C2
|
C23H25N7O 415.501000 |
FDSAYBOXNBUDLW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652698; PubChem:CID171362813
|
Local ready
Direct docking supported
|
|
E3L032468
BDB032468
|
US20240059691, Example 4414
CC(Oc1cc(CNc2ccc3c(N)nccc3c2)ccn1)C1CCN(C)CC1
|
C23H29N5O 391.519000 |
LYEHEUAZOOESEO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652699; PubChem:CID170928442
|
Local ready
Direct docking supported
|
|
E3L032469
BDB032469
|
US20240059691, Example 4415
CN1CCC(F)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
|
C22H26FN5O 395.482000 |
BFQNKMMUOHHACP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652700; PubChem:CID171362814
|
Local ready
Direct docking supported
|
|
E3L032470
BDB032470
|
US20240059691, Example 4416
CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1=O
|
C22H25N5O2 391.475000 |
IJBCZEFYSVVQCJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652701; PubChem:CID171362815
|
Local ready
Direct docking supported
|
|
E3L032471
BDB032471
|
US20240059691, Example 4417
CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1=O
|
C22H25N5O2 391.475000 |
MFBISHBYEWTWMC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652702; PubChem:CID171362816
|
Local ready
Direct docking supported
|
|
E3L032472
BDB032472
|
US20240059691, Example 4418
CN1C[C@@H]2C(COc3cc(CNc4cccc5c(N)nccc45)ccn3)[C@@H]2C1
|
C22H25N5O 375.476000 |
KKMDOLSFQQCZGC-DFNIBXOVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652703; PubChem:CID171362817
|
Local ready
Direct docking supported
|
|
E3L032473
BDB032473
|
US20240059691, Example 4419
CN1CCC(COc2cc(CN(C)c3cccc4c(N)nccc34)ccn2)CC1
|
C23H29N5O 391.519000 |
HRTOIBPNAUKSTE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652704; PubChem:CID171362818
|
Local ready
Direct docking supported
|
|
E3L032474
BDB032474
|
US20240059691, Example 4420
Cn1ccnc1CCCOc1cc(CNc2ccc3c(N)nccc3c2)ccn1
|
C22H24N6O 388.475000 |
POKGXFZJGCGYEF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652705; PubChem:CID170928452
|
Local ready
Direct docking supported
|
|
E3L032475
BDB032475
|
US20240059691, Example 4421
Cn1ccnc1CCCOc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C22H24N6O 388.475000 |
PRTWCDSIQRRULF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652706; PubChem:CID170928398
|
Local ready
Direct docking supported
|
|
E3L032476
BDB032476
|
US20240059691, Example 4422
Cn1ccnc1COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
|
C20H20N6O 360.421000 |
LICTXPSAXZDXMN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652707; PubChem:CID170928389
|
Local ready
Direct docking supported
|
|
E3L032477
BDB032477
|
US20240059691, Example 4423
Cn1ccnc1COc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C20H20N6O 360.421000 |
PNUXAPZWMDGHES-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652708; PubChem:CID171362819
|
Local ready
Direct docking supported
|
|
E3L032478
BDB032478
|
US20240059691, Example 4424
CN1CCC(C)(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
|
C23H29N5O 391.519000 |
DHKUTIQQPVLBKH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652709; PubChem:CID171362820
|
Local ready
Direct docking supported
|
|
E3L032479
BDB032479
|
US20240059691, Example 4425
CN1CCC(C)(COc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
|
C23H29N5O 391.519000 |
NJDXNEAIGXTHQR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652710; PubChem:CID171362821
|
Local ready
Direct docking supported
|
|
E3L032480
BDB032480
|
US20240059691, Example 4426
CN1CCN(c2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
|
C20H24N6 348.454000 |
ILJYYWNJCGUIRQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652711; PubChem:CID170928346
|
Local ready
Direct docking supported
|