| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032441
BDB032441
|
US20240059691, Example 4284
CN1CCC(CNc2cc(CNc3ccc4c(N)nccc4c3)ccn2)CC1
|
C22H28N6 376.508000 |
AYQRIBJCWHYQNN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652670; PubChem:CID171362800
|
Local ready
Direct docking supported
|
|
E3L032442
BDB032442
|
US20240059691, Example 4285
CN1CCC(CNc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1
|
C22H27ClN6 410.953000 |
VFEVHMYHGBXCLM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652671; PubChem:CID163390570
|
Local ready
Direct docking supported
|
|
E3L032443
BDB032443
|
US20240059691, Example 4286
CN1CCC(CNc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
|
C22H28N6 376.508000 |
UXTLTIOXBOHGKL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652672; PubChem:CID171362801
|
Local ready
Direct docking supported
|
|
E3L032444
BDB032444
|
BDBM652673
Nc1nccc2cc(NCc3cccc(CN4CCCC4)c3)ccc12
|
C21H24N4 332.451000 |
CILUVFWKTWEZAT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652673; PubChem:CID170928492
|
Local ready
Direct docking supported
|
|
E3L032445
BDB032445
|
US20240059691, Example 4288
CN1CCN(CCc2cccc(CNc3ccc4c(N)nccc4c3)c2)CC1
|
C23H29N5 375.520000 |
SZVKCFWGVAKMJJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652674; PubChem:CID170928490
|
Local ready
Direct docking supported
|
|
E3L032446
BDB032446
|
BDBM652675
CN1CCC(NC(=O)c2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
|
C22H26N6O 390.491000 |
FUQWXNUBICSJBF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652675; PubChem:CID170928380
|
Local ready
Direct docking supported
|
|
E3L032447
BDB032447
|
US20240059691, Example 4293
CN1CCC(COc2cc(CNc3cnc4c(N)nccc4c3)ccn2)CC1
|
C21H26N6O 378.480000 |
JBHALIPUGWBOFZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652676; PubChem:CID171362802
|
Local ready
Direct docking supported
|
|
E3L032448
BDB032448
|
US20240059691, Example 4294
CC(C)N1C[C@H]2C[C@@H]1CN2Cc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C24H30N6 402.546000 |
GZWDTTNGXUYGCU-WOJBJXKFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652677; PubChem:CID171362803
|
Local ready
Direct docking supported
|
|
E3L032449
BDB032449
|
US20240059691, Example 4296
CC(C)N1CCC(OCc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1
|
C24H30ClN5O 439.991000 |
TVXGWIZPUXEVHQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652679; PubChem:CID171362804
|
Local ready
Direct docking supported
|
|
E3L032450
BDB032450
|
US20240059691, Example 4297
CC(C)N1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1
|
C26H33N5O 431.584000 |
ZGZPKQSHBQJIGW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652680; PubChem:CID171362805
|
Local ready
Direct docking supported
|
|
E3L032451
BDB032451
|
US20240059691, Example 4298
Nc1nccc2c(NCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12
|
C23H24N6O 400.486000 |
NDQYBUYVXIWGNJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652681; PubChem:CID163390393
|
Local ready
Direct docking supported
|
|
E3L032452
BDB032452
|
US20240059691, Example 4299
CC(C)N1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1
|
C24H31N5O 405.546000 |
AIRGERSZASMAFK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652682; PubChem:CID163390572
|
Local ready
Direct docking supported
|
|
E3L032453
BDB032453
|
US20240059691, Example 4300
Nc1ncc(Cl)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
|
C23H23ClN6O 434.931000 |
MABZHGPFQUEHHT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652683; PubChem:CID163390458
|
Local ready
Direct docking supported
|
|
E3L032454
BDB032454
|
US20240059691, Example 4301
Cn1ccc(COc2cc(CNc3cccc4c(N)nccc34)ccn2)cc1=O
|
C22H21N5O2 387.443000 |
MBFJFSDXDXLAQN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652684; PubChem:CID163390251
|
Local ready
Direct docking supported
|
|
E3L032455
BDB032455
|
US20240059691, Example 4302
Nc1nccc2c(NCc3ccnc(NCCC(=O)N4CCCC4)c3)cccc12
|
C22H26N6O 390.491000 |
MXRVUBAIYLEIBV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652685; PubChem:CID171362806
|
Local ready
Direct docking supported
|
|
E3L032456
BDB032456
|
US20240059691, Example 4303
Nc1ncc(Cl)c2cc(NCc3ccnc(NCC4CCn5ccnc5C4)c3)ccc12
|
C23H24ClN7 433.947000 |
OJOAPDZWILJFFF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652686; PubChem:CID171362807
|
Local ready
Direct docking supported
|
|
E3L032457
BDB032457
|
US20240059691, Example 4306
Nc1nccc2c(NCc3ccnc(OC4CCn5ccnc5C4)c3)cccc12
|
C22H22N6O 386.459000 |
VXRIIFJJYHZTRZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652687; PubChem:CID171362808
|
Local ready
Direct docking supported
|
|
E3L032458
BDB032458
|
US20240059691, Example 4307
Nc1ncc(F)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12
|
C23H23FN6O 418.476000 |
HMMQIOFQLZWHKO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652688; PubChem:CID171362809
|
Local ready
Direct docking supported
|
|
E3L032459
BDB032459
|
US20240059691, Example 4308
Nc1ncc(F)c2c(NCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12
|
C23H23FN6O 418.476000 |
AJQGZKKQAAWAPQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652689; PubChem:CID171362810
|
Local ready
Direct docking supported
|
|
E3L032460
BDB032460
|
US20240059691, Example 4309
Cc1cn2c(n1)CC(COc1cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn1)CC2
|
C24H25ClN6O 448.958000 |
CSNSELBEUILYAV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652690; PubChem:CID171362811
|
Local ready
Direct docking supported
|