| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025341
BDB025341
|
US11312723, Example 1
Cc1cc2c(C(=O)n3nc4c(c3N)CN(C(=O)OC(C)(C)C)CC4)cccc2[nH]1
|
C21H25N5O3 395.463000 |
LPYKGROAZMIMAN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551843; PubChem:CID148390880
|
Local ready
Direct docking supported
|
|
E3L025342
BDB025342
|
US11312723, Example 2
Cc1cc2c(C(=O)n3nc4c(c3N)CNCC4)cccc2[nH]1
|
C16H17N5O 295.346000 |
FKMZPOAJKKGJSV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551844; PubChem:CID147517530
|
Local ready
Direct docking supported
|
|
E3L025343
BDB025343
|
US11312723, Example 3
CN1CCc2nn(C(=O)C3CCCc4[nH]c(Cl)cc43)c(N)c2C1
|
C16H20ClN5O 333.823000 |
FRESKFJHYUCMED-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551845; PubChem:CID147553289
|
Local ready
Direct docking supported
|
|
E3L025344
BDB025344
|
US11312723, Example 4
CCc1cc2c([nH]1)CCCC2C(=O)n1nc2c(c1N)CN(C(=O)OCc1ccccc1)CC2
|
C25H29N5O3 447.539000 |
OPSJJYMMFBCQID-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551846; PubChem:CID155163323
|
Local ready
Direct docking supported
|
|
E3L025345
BDB025345
|
US11312723, Example 5
CCc1cc2c([nH]1)CCCC2C(=O)n1nc(N)c2c1CCN(C(=O)OCc1ccccc1)C2
|
C25H29N5O3 447.539000 |
ZJLYMLYWHBSRHB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551847; PubChem:CID155163319
|
Local ready
Direct docking supported
|
|
E3L025346
BDB025346
|
US11312723, Example 6
CCc1cc2c([nH]1)CCCC2C(=O)n1nc2c(c1N)CNCC2
|
C17H23N5O 313.405000 |
WTXHTBCOHNKKPX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551848; PubChem:CID153254044
|
Local ready
Direct docking supported
|
|
E3L025347
BDB025347
|
US11312723, Example 7
Cc1cc2c(C(=O)n3nc4c(c3N)CCN(C(=O)OC(C)(C)C)C4)cccc2[nH]1
|
C21H25N5O3 395.463000 |
IHLKLCIDIHLQJB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551849; PubChem:CID155163303
|
Local ready
Direct docking supported
|
|
E3L025348
BDB025348
|
US11312723, Example 8
Cc1cc2c(C(=O)n3nc(N)c4c3CN(C(=O)OC(C)(C)C)CC4)cccc2[nH]1
|
C21H25N5O3 395.463000 |
GVFPRHVKUVRFCT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551850; PubChem:CID155163376
|
Local ready
Direct docking supported
|
|
E3L025349
BDB025349
|
US11312723, Example 9
Cc1cc2c(C(=O)n3nc4c(c3N)CCNC4)cccc2[nH]1
|
C16H17N5O 295.346000 |
NSCOOHIWYIDUSU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551851; PubChem:CID148683699
|
Local ready
Direct docking supported
|
|
E3L025350
BDB025350
|
US11312723, Example 10
Cc1cc2c(C(=O)n3nc4c(c3N)CCN(Cc3ccccc3)C4)cccc2[nH]1
|
C23H23N5O 385.471000 |
QJMKVOPDZNNLBK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551852; PubChem:CID149049276
|
Local ready
Direct docking supported
|
|
E3L025351
BDB025351
|
US11312723, Example 11
Cc1cc2c(C(=O)n3nc(N)c4c3CN(Cc3ccccc3)CC4)cccc2[nH]1
|
C23H23N5O 385.471000 |
FFJIDQSVJZVRCR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551853; PubChem:CID150151656
|
Local ready
Direct docking supported
|
|
E3L025352
BDB025352
|
US11312723, Example 12
Cc1ccc2c(c1)C(C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C18H23N5O3S 389.481000 |
NXICIJPRONLUNA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551854; PubChem:CID148711540
|
Local ready
Direct docking supported
|
|
E3L025353
BDB025353
|
US11312723, Example 13
Cc1ccc2c(c1)C(C(=O)n1nc(N)c3c1CN(S(C)(=O)=O)CC3)CCN2
|
C18H23N5O3S 389.481000 |
KTKPBZCERKVHEX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551855; PubChem:CID148270478
|
Local ready
Direct docking supported
|
|
E3L025354
BDB025354
|
US11312723, Example 14
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(Cl)cc43)c2N)C1
|
C17H20ClN5O3S 409.899000 |
TUEJXRXRVQERAG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551856; PubChem:CID155163383
|
Local ready
Direct docking supported
|
|
E3L025355
BDB025355
|
US11312723, Example 15
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(Cl)cc43)c2C1
|
C17H20ClN5O3S 409.899000 |
SNJVJSQDSBOPIZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551857; PubChem:CID151874523
|
Local ready
Direct docking supported
|
|
E3L025356
BDB025356
|
US11312723, Example 16
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
|
C17H20FN5O3S 393.444000 |
XWCADRXAUCPOOB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551858; PubChem:CID149297550
|
Local ready
Direct docking supported
|
|
E3L025357
BDB025357
|
US11312723, Example 17
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
|
C17H20FN5O3S 393.444000 |
SBILBIOMRLWHSA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551859; PubChem:CID146817233
|
Local ready
Direct docking supported
|
|
E3L025358
BDB025358
|
US11312723, Example 18
CS(=O)(=O)N1CCc2c(nn(C(=O)[C@H]3CCNc4ccc(F)cc43)c2N)C1
|
C17H20FN5O3S 393.444000 |
XWCADRXAUCPOOB-NSHDSACASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551860; PubChem:CID149297549
|
Local ready
Direct docking supported
|
|
E3L025359
BDB025359
|
US11312723, Example 19
CS(=O)(=O)N1CCc2c(nn(C(=O)[C@@H]3CCNc4ccc(F)cc43)c2N)C1
|
C17H20FN5O3S 393.444000 |
XWCADRXAUCPOOB-LLVKDONJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551861; PubChem:CID149297548
|
Local ready
Direct docking supported
|
|
E3L025360
BDB025360
|
US11312723, Example 20
CCN1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C18H23N5O 325.416000 |
USCOJXXCHWFEDM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551862; PubChem:CID152969138
|
Local ready
Direct docking supported
|