| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032381
BDB032381
|
US20240059691, Example 2190
CN1CCC(OCc2ccc(CN(C)c3ccc4c(N)nccc4c3)cc2)CC1
|
C24H30N4O 390.531000 |
OAHIADQZXPBYGD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652610; PubChem:CID163390383
|
Local ready
Direct docking supported
|
|
E3L032382
BDB032382
|
US20240059691, Example 2191
CN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC1
|
C23H27FN4O 394.494000 |
QDOYQXPRWRGBKF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652611; PubChem:CID163390206
|
Local ready
Direct docking supported
|
|
E3L032383
BDB032383
|
US20240059691, Example 2192
CN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)c(Cl)c2)CC1
|
C23H27ClN4O 410.949000 |
PUSHOPRQHUASRC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652612; PubChem:CID163390318
|
Local ready
Direct docking supported
|
|
E3L032384
BDB032384
|
BDBM652613
CN1CCC(OCc2ccc(CNc3ccc4cnccc4c3)cc2)CC1
|
C23H27N3O 361.489000 |
BOCSUPFQLFIHFX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652613; PubChem:CID163390373
|
Local ready
Direct docking supported
|
|
E3L032385
BDB032385
|
US20240059691, Example 2194
CN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)cc2)C(F)(F)C1
|
C23H26F2N4O 412.484000 |
BFXHXEUYAPQSKF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652614; PubChem:CID163390187
|
Local ready
Direct docking supported
|
|
E3L032386
BDB032386
|
US20240059691, Example 2195
Nc1nccc2cc(NCc3ccc(COC4CCN(C5CC5)CC4)cc3)ccc12
|
C25H30N4O 402.542000 |
WDKFWBZIMKMRIR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652615; PubChem:CID171362770
|
Local ready
Direct docking supported
|
|
E3L032387
BDB032387
|
US20240059691, Example 2196
Nc1nccc2cc(NCc3ccc(COC4CCN(CC(F)F)CC4)cc3)ccc12
|
C24H28F2N4O 426.511000 |
NNSGOPRWQAVYAK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652616; PubChem:CID171362771
|
Local ready
Direct docking supported
|
|
E3L032388
BDB032388
|
US20240059691, Example 2197
CN1CCC(OCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)CC1
|
C23H27FN4O 394.494000 |
FANJUXPUAIHWDE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652617; PubChem:CID163390208
|
Local ready
Direct docking supported
|
|
E3L032389
BDB032389
|
US20240059691, Example 2198
CN1C[C@H]2CC1C[C@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
|
C24H27FN4O 406.505000 |
CYDSMQBZTXOTJO-ZBOFDPRTSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652618; PubChem:CID169100189
|
Local ready
Direct docking supported
|
|
E3L032390
BDB032390
|
US20240059691, Example 2199
CN1C[C@H]2CC1C[C@@H]2OCc1ccc(CNc2ccc3c(N)nccc3c2)c(F)c1
|
C24H27FN4O 406.505000 |
CYDSMQBZTXOTJO-RAWUHTOPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652619; PubChem:CID169100197
|
Local ready
Direct docking supported
|
|
E3L032391
BDB032391
|
US20240059691, Example 2200
CC(=O)N1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC1
|
C24H27FN4O2 422.504000 |
UNMCKAKYUMTHLQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652620; PubChem:CID171362772
|
Local ready
Direct docking supported
|
|
E3L032392
BDB032392
|
US20240059691, Example 2201
CCN1CCC(OCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)CC1
|
C24H29FN4O 408.521000 |
JRXMHNDYGQNYAI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652621; PubChem:CID171362773
|
Local ready
Direct docking supported
|
|
E3L032393
BDB032393
|
US20240059691, Example 2202
CCN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC1
|
C24H29FN4O 408.521000 |
QXBVZJVFQPOKBL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652622; PubChem:CID171362774
|
Local ready
Direct docking supported
|
|
E3L032394
BDB032394
|
US20240059691, Example 2203
CN1CCC(OCc2ccc(CN(C)c3cccc4c(N)nccc34)c(Cl)c2)CC1
|
C24H29ClN4O 424.976000 |
FJCDXLHVUXGHIO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652623; PubChem:CID171362775
|
Local ready
Direct docking supported
|
|
E3L032395
BDB032395
|
US20240059691, Example 2204
CN1CCC(OCc2ccc(CN(C)c3ccc4cnccc4c3)cc2)CC1
|
C24H29N3O 375.516000 |
BUERVDLOQNKKKC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652624; PubChem:CID171362776
|
Local ready
Direct docking supported
|
|
E3L032396
BDB032396
|
US20240059691, Example 2205
CN1CCC(OCc2ccc(CNc3ccc4c(N)nccc4c3)c(F)c2)CC12COC2
|
C25H29FN4O2 436.531000 |
PUXBKFXYQQCQAS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652625; PubChem:CID171362777
|
Local ready
Direct docking supported
|
|
E3L032397
BDB032397
|
US20240059691, Example 2206
CN1CC2(CC(OCc3ccc(CNc4cccc5c(N)nccc45)c(F)c3)C2)C1
|
C24H27FN4O 406.505000 |
AHIHNTAORHPRDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652626; PubChem:CID171362778
|
Local ready
Direct docking supported
|
|
E3L032398
BDB032398
|
US20240059691, Example 2207
Cn1ccnc1COCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
|
C22H22FN5O 391.450000 |
XQVNEJZHIUXQSZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652627; PubChem:CID171362779
|
Local ready
Direct docking supported
|
|
E3L032399
BDB032399
|
US20240059691, Example 2208
Cn1ccnc1CCOCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1
|
C23H24FN5O 405.477000 |
VFLSIFZSTSWSDC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652628; PubChem:CID163390462
|
Local ready
Direct docking supported
|
|
E3L032400
BDB032400
|
US20240059691, Example 2209
CN1CC(OCc2ccc(CNc3cccc4c(N)nccc34)c(F)c2)CCC1=O
|
C23H25FN4O2 408.477000 |
NTFAJFSJGVPGAC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652629; PubChem:CID171362780
|
Local ready
Direct docking supported
|