| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022741
BDB022741
|
US11180484, Example 4
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncn1
|
C25H26N6O4 474.521000 |
WCADOIWPLIAFRR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528082; PubChem:CID139301833
|
Local ready
Direct docking supported
|
|
E3L022742
BDB022742
|
US11180484, Example 5
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
|
C24H23FN6O3 462.485000 |
LHZHVJWEENFPHR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528083; PubChem:CID139301813
|
Local ready
Direct docking supported
|
|
E3L022743
BDB022743
|
US11180484, Example 6
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F
|
C25H21F4N5O3 515.467000 |
NKTBXDIJVDKJRR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528084; PubChem:CID139301871
|
Local ready
Direct docking supported
|
|
E3L022744
BDB022744
|
US11180484, Example 7
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F
|
C26H27FN6O3 490.539000 |
VBARDULQROXGKU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528085; PubChem:CID139301861
|
Local ready
Direct docking supported
|
|
E3L022745
BDB022745
|
US11180484, Example 8
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ncc1C#N
|
C27H26N6O4 498.543000 |
AXDZSJQRHYIUDG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528086; PubChem:CID139301847
|
Local ready
Direct docking supported
|
|
E3L022746
BDB022746
|
US11180484, Example 10
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)n1
|
C25H26N6O4 474.521000 |
MHQPAMQKPZNORS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528087; PubChem:CID139301874
|
Local ready
Direct docking supported
|
|
E3L022747
BDB022747
|
US11180484, Example 11
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(C)c(OC)c1C
|
C28H31N5O4 501.587000 |
GQIPLMKRGZCNHM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528088; PubChem:CID139301865
|
Local ready
Direct docking supported
|
|
E3L022748
BDB022748
|
US11180484, Example 13
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncccc1C#N
|
C26H24N6O3 468.517000 |
CXNMCPFLYVYHGI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528090; PubChem:CID139301816
|
Local ready
Direct docking supported
|
|
E3L022749
BDB022749
|
US11180484, Example 16
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1C#N
|
C26H23ClN6O3 502.962000 |
DLOVVYIYYDQZJE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528091; PubChem:CID139301878
|
Local ready
Direct docking supported
|
|
E3L022750
BDB022750
|
US11180484, Example 17
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(Cl)cc1F
|
C25H23ClFN5O3 495.942000 |
ZGVHOERMFFOQEE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528092; PubChem:CID139301867
|
Local ready
Direct docking supported
|
|
E3L022751
BDB022751
|
US11180484, Example 20
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)c(C)cn1
|
C27H29N5O4 487.560000 |
SSHUXJONDGHEDC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528093; PubChem:CID139301887
|
Local ready
Direct docking supported
|
|
E3L022752
BDB022752
|
US11180484, Example 22
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C
|
C27H29N5O4 487.560000 |
BUIQZUSRWDPBSM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528094; PubChem:CID139301877
|
Local ready
Direct docking supported
|
|
E3L022753
BDB022753
|
US11180484, Example 26
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ncc(F)cc1F
|
C25H23F2N5O3 479.487000 |
LBBWYBIVLDSOSM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528095; PubChem:CID139301863
|
Local ready
Direct docking supported
|
|
E3L022754
BDB022754
|
US11180484, Example 27
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nc(C)ccc1F
|
C26H26FN5O3 475.524000 |
NFELVQQHZHAYGB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528096; PubChem:CID139301864
|
Local ready
Direct docking supported
|
|
E3L022755
BDB022755
|
US11180484, Example 28
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1F
|
C26H26FN5O3 475.524000 |
KORWPMHMESLCMI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528097; PubChem:CID139301835
|
Local ready
Direct docking supported
|
|
E3L022756
BDB022756
|
US11180484, Example 29
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(C)c1Cl
|
C26H26ClN5O3 491.979000 |
JGKXIESKLZBKHM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528098; PubChem:CID139301866
|
Local ready
Direct docking supported
|
|
E3L022757
BDB022757
|
Feniralstat
COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
|
C26H25F2N5O4 509.513000 |
ZRUFVDPYHLTYPD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528099; PubChem:CID139301832
|
Local ready
Direct docking supported
|
|
E3L022758
BDB022758
|
US11180484, Example 31
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)n(C)n1
|
C25H28N6O4 476.537000 |
AKTSEYYIYFHXQV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528100; PubChem:CID139301821
|
Local ready
Direct docking supported
|
|
E3L022759
BDB022759
|
US11180484, Example 35
COc1ccc(F)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
|
C25H23F2N5O3 479.487000 |
YPEAKNASZHJRPG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528102; PubChem:CID121365126
|
Local ready
Direct docking supported
|
|
E3L022760
BDB022760
|
US11180484, Example 37
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C#N
|
C28H27N5O4 497.555000 |
JWIURRVFGQJOEK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528103; PubChem:CID121365064
|
Local ready
Direct docking supported
|