| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032361
BDB032361
|
US20240059691, Example 1339
Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)ncc1CNc1ccnc2c1CCN2
|
C20H21F3N8 430.438000 |
FCOWFBTXRKUFME-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652590; PubChem:CID171362760
|
Local ready
Direct docking supported
|
|
E3L032362
BDB032362
|
US20240059691, Example 1341
Cc1cc2c(NCc3cnc(N4CCn5c(nnc5C(F)(F)F)C4)cc3C)cncc2[nH]1
|
C21H21F3N8 442.449000 |
BSYGQRQUDPTXKF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652591; PubChem:CID171362761
|
Local ready
Direct docking supported
|
|
E3L032363
BDB032363
|
US20240059691, Example 1342
Cc1cc(N2Cc3nnc(C(F)(F)F)n3C[C@H]2C)ncc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
VIHAKVZBNUYTPP-CQSZACIVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652592; PubChem:CID171362762
|
Local ready
Direct docking supported
|
|
E3L032364
BDB032364
|
US20240059691, Example 1343
COC[C@@H]1c2nnc(C(F)(F)F)n2CCN1c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
|
C24H25F3N8O 498.513000 |
OKKPHMPYRLURBZ-LJQANCHMSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652593; PubChem:CID171362763
|
Local ready
Direct docking supported
|
|
E3L032365
BDB032365
|
US20240059691, Example 1344
COC[C@H]1c2nnc(C(F)(F)F)n2CCN1c1cc(C)c(CNc2cccc3c(N)nccc23)cn1
|
C24H25F3N8O 498.513000 |
OKKPHMPYRLURBZ-IBGZPJMESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652594; PubChem:CID171362764
|
Local ready
Direct docking supported
|
|
E3L032366
BDB032366
|
US20240059691, Example 1345
Cc1cc(N2CCn3c(nnc3C(F)(F)F)[C@H]2C)cnc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
WIACSVSMZOIFQN-CQSZACIVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652595; PubChem:CID171362765
|
Local ready
Direct docking supported
|
|
E3L032367
BDB032367
|
US20240059691, Example 1346
Cc1cc(N2CCn3c(nnc3C(F)(F)F)[C@@H]2C)cnc1CNc1cccc2c(N)nccc12
|
C23H23F3N8 468.487000 |
WIACSVSMZOIFQN-AWEZNQCLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652596; PubChem:CID171362766
|
Local ready
Direct docking supported
|
|
E3L032368
BDB032368
|
US20240059691, Example 2177
CN1CCC(CCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
|
C24H30N4 374.532000 |
JRGKULXTRBRGAB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652597; PubChem:CID163390290
|
Local ready
Direct docking supported
|
|
E3L032369
BDB032369
|
US20240059691, Example 2178
CN1CCC(CCc2ccc(CNc3cccc4c(N)nccc34)cc2)CC1
|
C24H30N4 374.532000 |
ADOGWSXMKPYQAU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652598; PubChem:CID170928437
|
Local ready
Direct docking supported
|
|
E3L032370
BDB032370
|
US20240059691, Example 2179
CN1CCN(C(=O)Cc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
|
C23H27N5O 389.503000 |
VMCOQPKFNGBOQZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652599; PubChem:CID171362767
|
Local ready
Direct docking supported
|
|
E3L032371
BDB032371
|
US20240059691, Example 2180
CN1CCN(CCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
|
C23H29N5 375.520000 |
AVJAMPWYKFEYGP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652600; PubChem:CID170928483
|
Local ready
Direct docking supported
|
|
E3L032372
BDB032372
|
US20240059691, Example 2181
CN1CCN(CCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC1
|
C23H28FN5 393.510000 |
QEKIKQCZDOHATQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652601; PubChem:CID171362768
|
Local ready
Direct docking supported
|
|
E3L032373
BDB032373
|
US20240059691, Example 2182
CN1CCN(CCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)CC1
|
C23H28FN5 393.510000 |
RJGXWYMMSWXDBY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652602; PubChem:CID171362769
|
Local ready
Direct docking supported
|
|
E3L032374
BDB032374
|
US20240059691, Example 2183
Nc1nccc2c(NCc3ccc(CCN4CCOCC4)cc3F)cccc12
|
C22H25FN4O 380.467000 |
RWQRQTTUCTXRQC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652603; PubChem:CID163390220
|
Local ready
Direct docking supported
|
|
E3L032375
BDB032375
|
US20240059691, Example 2184
CN1CCN(CCc2ccc(CNc3ccc4c(N)ncc(Cl)c4c3)c(F)c2)CC1
|
C23H27ClFN5 427.955000 |
OTZKOBJGNWYHCY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652604; PubChem:CID163390559
|
Local ready
Direct docking supported
|
|
E3L032376
BDB032376
|
US20240059691, Example 2185
CN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)CC1
|
C23H28N4O 376.504000 |
IFOVGASEQCOJAP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652605; PubChem:CID163390477
|
Local ready
Direct docking supported
|
|
E3L032377
BDB032377
|
US20240059691, Example 2186
CN1CCC(OCc2ccc(CNc3cccc4c(N)nccc34)cc2)CC1
|
C23H28N4O 376.504000 |
YGRNPRKEECJLCM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652606; PubChem:CID163390213
|
Local ready
Direct docking supported
|
|
E3L032378
BDB032378
|
BDBM652607
CN1CCC(OCc2ccc(CNc3ccc4nc(N)ccc4c3)cc2)CC1
|
C23H28N4O 376.504000 |
IUBAXPVGRHDTKV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652607; PubChem:CID163390297
|
Local ready
Direct docking supported
|
|
E3L032379
BDB032379
|
US20240059691, Example 2188
CN1CCC(OCc2ccc(CNc3ccc4cc(N)ncc4c3)cc2)CC1
|
C23H28N4O 376.504000 |
XIFNXPCBWYAEJW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652608; PubChem:CID170928454
|
Local ready
Direct docking supported
|
|
E3L032380
BDB032380
|
US20240059691, Example 2189
CN1CCC(OCc2ccc(CNc3ccc4cnc(N)cc4c3)cc2)CC1
|
C23H28N4O 376.504000 |
UCVKVZZDWKEDST-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652609; PubChem:CID163390438
|
Local ready
Direct docking supported
|