| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032421
BDB032421
|
US20240059691, Example 4264
CN1CCC(COc2cc(CNc3cnc4[nH]cc(Cl)c4c3)ccn2)CC1
|
C20H24ClN5O 385.899000 |
DQVFZJPJBZFGFO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652650; PubChem:CID171362789
|
Local ready
Direct docking supported
|
|
E3L032422
BDB032422
|
US20240059691, Example 4265
CN1CCC(COc2cc(CNc3ccc4c(N)nccc4c3)cc(C(F)(F)F)n2)CC1
|
C23H26F3N5O 445.489000 |
RETOSFBTHJWCPW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652651; PubChem:CID163390563
|
Local ready
Direct docking supported
|
|
E3L032423
BDB032423
|
US20240059691, Example 4266
Nc1nccc2cc(NCc3ccnc(OCC4CCn5cc(C(F)(F)F)nc5C4)c3)ccc12
|
C24H23F3N6O 468.483000 |
YEKLWIQAYABVHF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652652; PubChem:CID171362790
|
Local ready
Direct docking supported
|
|
E3L032424
BDB032424
|
US20240059691, Example 4267
Nc1nccc2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
|
C23H24N6O 400.486000 |
RNYFAJPMYTZRIV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652653; PubChem:CID163390500
|
Local ready
Direct docking supported
|
|
E3L032425
BDB032425
|
US20240059691, Example 4268
CN1CCC(COc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1
|
C22H26ClN5O 411.937000 |
WPHHTTMLRJZZSE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652654; PubChem:CID163390523
|
Local ready
Direct docking supported
|
|
E3L032426
BDB032426
|
US20240059691, Example 4269
CN1CC2C(COc3cc(CNc4ccc5c(N)nccc5c4)ccn3)C2C1
|
C22H25N5O 375.476000 |
DLIVTYIYTMUJNA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652655; PubChem:CID171362791
|
Local ready
Direct docking supported
|
|
E3L032427
BDB032427
|
US20240059691, Example 4270
CN1CC2CCC(C1)C2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
|
C24H29N5O 403.530000 |
VZCLQKXKPFPMJM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652656; PubChem:CID169100193
|
Local ready
Direct docking supported
|
|
E3L032428
BDB032428
|
US20240059691, Example 4271
CN1CCC(COc2cc(CNc3cc4ccnc(N)c4cn3)ccn2)CC1
|
C21H26N6O 378.480000 |
HFEOGDZAKNSAKC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652657; PubChem:CID171362792
|
Local ready
Direct docking supported
|
|
E3L032429
BDB032429
|
US20240059691, Example 4272
CN1CCC(COc2cc(CNc3ccnc4c(N)nccc34)ccn2)CC1
|
C21H26N6O 378.480000 |
KPLOPAOSJILVIG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652658; PubChem:CID171362793
|
Local ready
Direct docking supported
|
|
E3L032430
BDB032430
|
US20240059691, Example 4273
CN1CCC(COc2cc(CNc3nccc4c(N)ccnc34)ccn2)CC1
|
C21H26N6O 378.480000 |
IIHKCWBLAFVPAV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652659; PubChem:CID171362794
|
Local ready
Direct docking supported
|
|
E3L032431
BDB032431
|
US20240059691, Example 4274
CC(=O)N1CC2CC1CC2COc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C24H27N5O2 417.513000 |
MQDHBZFMRCCJMC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652660; PubChem:CID163390261
|
Local ready
Direct docking supported
|
|
E3L032432
BDB032432
|
US20240059691, Example 4275
CC(=O)N1CC2CC1CC2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
|
C24H27N5O2 417.513000 |
FEDZONCTGWFBNX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652661; PubChem:CID163390402
|
Local ready
Direct docking supported
|
|
E3L032433
BDB032433
|
US20240059691, Example 4276
CN1CC2CC1CC2COc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C23H27N5O 389.503000 |
CUJAMZMFVUMLMN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652662; PubChem:CID171362795
|
Local ready
Direct docking supported
|
|
E3L032434
BDB032434
|
US20240059691, Example 4277
CN1CC2CC1CC2COc1cc(CNc2ccc3c(N)nccc3c2)ccn1
|
C23H27N5O 389.503000 |
LRIAAYQSNNESBQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652663; PubChem:CID163390550
|
Local ready
Direct docking supported
|
|
E3L032435
BDB032435
|
US20240059691, Example 4278
CN1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C24H29N5O 403.530000 |
RMNYKKOMVGKWMF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652664; PubChem:CID171362796
|
Local ready
Direct docking supported
|
|
E3L032436
BDB032436
|
US20240059691, Example 4279
CN1C[C@@H](COc2cc(CNc3cccc4c(N)nccc34)ccn2)OC1=O
|
C20H21N5O3 379.420000 |
JIRZTKNHLRBCKF-AWEZNQCLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652665; PubChem:CID171362797
|
Local ready
Direct docking supported
|
|
E3L032437
BDB032437
|
US20240059691, Example 4280
CN1C[C@H](COc2cc(CNc3cccc4c(N)nccc34)ccn2)OC1=O
|
C20H21N5O3 379.420000 |
JIRZTKNHLRBCKF-CQSZACIVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652666; PubChem:CID171362798
|
Local ready
Direct docking supported
|
|
E3L032438
BDB032438
|
US20240059691, Example 4281
CN1CCC(COc2cc(CNc3cccc4c(N)nccc34)cc(C(F)(F)F)n2)CC1
|
C23H26F3N5O 445.489000 |
ZKYUOZOXYNXLAA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652667; PubChem:CID171362799
|
Local ready
Direct docking supported
|
|
E3L032439
BDB032439
|
US20240059691, Example 4282
Cn1ccnc1CCOc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C21H22N6O 374.448000 |
WJAIHAMGHSKLNB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652668; PubChem:CID170928467
|
Local ready
Direct docking supported
|
|
E3L032440
BDB032440
|
US20240059691, Example 4283
Cn1ccnc1CCOc1cc(CNc2ccc3c(N)nccc3c2)ccn1
|
C21H22N6O 374.448000 |
QBUFVHZXADLMLN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652669; PubChem:CID170928370
|
Local ready
Direct docking supported
|