| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022761
BDB022761
|
US11180484, Example 38
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccc(OC)c1C#N
|
C28H27N5O4 497.555000 |
YBWZNXCRUYMFTB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528104; PubChem:CID139301848
|
Local ready
Direct docking supported
|
|
E3L022762
BDB022762
|
US11180484, Example 39
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(-n2cnnn2)ccc(OC)c1F
|
C28H27FN8O4 558.574000 |
CQJUCEDANVNSLY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528105; PubChem:CID139301841
|
Local ready
Direct docking supported
|
|
E3L022763
BDB022763
|
US11180484, Example 40
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
|
C28H28N8O4 540.584000 |
GOOYDEXCZNZXML-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528106; PubChem:CID132190788
|
Local ready
Direct docking supported
|
|
E3L022764
BDB022764
|
US11180484, Example 41
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C
|
C28H30N4O4 486.572000 |
IYZKNUPIGJTMIO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528107; PubChem:CID139301810
|
Local ready
Direct docking supported
|
|
E3L022765
BDB022765
|
US11180484, Example 42
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(C(N)=O)ccc(OC)c1F
|
C28H28FN5O5 533.560000 |
HHFDDRTYFWHVIW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528108; PubChem:CID139301883
|
Local ready
Direct docking supported
|
|
E3L022766
BDB022766
|
US11180484, Example 44
COc1ccc(C#N)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F
|
C28H27FN6O3 514.561000 |
GLQJORYVDYGMMX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528110; PubChem:CID139301855
|
Local ready
Direct docking supported
|
|
E3L022767
BDB022767
|
US11180484, Example 49
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(F)ccc1-n1cnnn1
|
C27H25FN8O3 528.548000 |
HGAHDIXAZKUMIT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528111; PubChem:CID132191131
|
Local ready
Direct docking supported
|
|
E3L022768
BDB022768
|
US11180484, Example 51
COCc1nn(Cc2ccc(Cn3ccccc3=O)cn2)cc1C(=O)NCc1c(C#N)ccc(OC)c1F
|
C27H25FN6O4 516.533000 |
VWRXUAIDRNILSA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528113; PubChem:CID139301836
|
Local ready
Direct docking supported
|
|
E3L022769
BDB022769
|
US11180484, Example 52
COCc1nn(Cc2ccc(Cn3ccccc3=O)nc2)cc1C(=O)NCc1c(C#N)ccc(OC)c1F
|
C27H25FN6O4 516.533000 |
YPPJNDBRBJRPMM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528115; PubChem:CID139301840
|
Local ready
Direct docking supported
|
|
E3L022770
BDB022770
|
US11180484, Example 53
COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1c(C#N)ccc(OC)c1F
|
C28H25F2N5O4 533.535000 |
WONUSGGEAIADDP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528116; PubChem:CID139301886
|
Local ready
Direct docking supported
|
|
E3L022771
BDB022771
|
US11180484, Example 57
COCc1nn(Cc2ccc(CN3CCCCC3=O)cc2)cc1C(=O)NCc1c(C#N)ccc(OC)c1F
|
C28H30FN5O4 519.577000 |
XPTZMLCDXVNVHH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528117; PubChem:CID139301879
|
Local ready
Direct docking supported
|
|
E3L022772
BDB022772
|
US11180484, Example 58
COCc1nn(Cc2cnc(N3CCCC3)nc2)cc1C(=O)NCc1c(C#N)ccc(OC)c1F
|
C24H26FN7O3 479.516000 |
SIRHHDJBZGUQGP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528118; PubChem:CID121365010
|
Local ready
Direct docking supported
|
|
E3L022773
BDB022773
|
US11180484, Example 60
COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(-n2cnnn2)ccc(OC)c1F
|
C27H28FN9O3 545.579000 |
RBMQELRIPLOTLF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528119; PubChem:CID132190780
|
Local ready
Direct docking supported
|
|
E3L022774
BDB022774
|
US11180484, Example 61
COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
|
C27H29N9O3 527.589000 |
ZGDCEZCTTYIMHX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528120; PubChem:CID132190914
|
Local ready
Direct docking supported
|
|
E3L022775
BDB022775
|
US11180484, Example 64
O=C(NCc1c(F)cccc1-n1cnnn1)c1cn(Cc2ccc(Cn3ccccc3=O)cc2)nc1C(F)(F)F
|
C26H20F4N8O2 552.492000 |
QIVLFDQQTJYRNZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528121; PubChem:CID139301858
|
Local ready
Direct docking supported
|
|
E3L022776
BDB022776
|
US11180484, Example 71
Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
|
C25H22ClN9O2 515.965000 |
VRRRZDGKLGIBNH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528122; PubChem:CID132190846
|
Local ready
Direct docking supported
|
|
E3L022777
BDB022777
|
US11180484, Example 72
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
|
C27H25ClN8O3 545.003000 |
HXIVOBRAPHEKKR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528123; PubChem:CID139301839
|
Local ready
Direct docking supported
|
|
E3L022778
BDB022778
|
US11180484, Example 73
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(Cl)cccc1-n1cnnn1
|
C27H25ClN8O3 545.003000 |
NHDCXSLYRRLZMJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528124; PubChem:CID139301885
|
Local ready
Direct docking supported
|
|
E3L022779
BDB022779
|
US11180484, Example 74
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1ccccc1-n1cnnn1
|
C27H26N8O3 510.558000 |
VGDXNXATYVCKMM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528125; PubChem:CID132190912
|
Local ready
Direct docking supported
|
|
E3L022780
BDB022780
|
US11180484, Reference Example K
COCc1nn(Cc2cnc(N3CCCC3)nc2)cc1C(=O)NCc1c(-n2cnnn2)ccc(OC)c1F
|
C24H27FN10O3 522.545000 |
GSFPQMPKJFXLTO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM528127; PubChem:CID132203422
|
Local ready
Direct docking supported
|