| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002781
BDB002781
|
BDBM45651
COc1ccc(/C=C/C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1OC
|
C17H16N2O7 360.322000 |
MGGHACFNPQGVFS-FNORWQNLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45651; PubChem:CID7150694
|
Local ready
Direct docking supported
|
|
E3L002782
BDB002782
|
BDBM45652
CCC1SC(CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O
|
C16H26N2O3S 326.462000 |
UWJPTIIJIIPTCE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45652; PubChem:CID3522024
|
Local ready
Direct docking supported
|
|
E3L002783
BDB002783
|
BDBM45653
COc1ccc(C=C(C#N)c2nnc(Cn3cncn3)[nH]2)cc1
|
C15H13N7O 307.317000 |
YTVKCLLZBWSTTL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45653; PubChem:CID2768605
|
Local ready
Direct docking supported
|
|
E3L002784
BDB002784
|
N-(2-chlorophenyl)-3,5-dinitropyridin-4-amine
O=[N+]([O-])c1cncc([N+](=O)[O-])c1Nc1ccccc1Cl
|
C11H7ClN4O4 294.654000 |
SYDNVZOSGOWCBQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45654; PubChem:CID3097923
|
Local ready
Direct docking supported
|
|
E3L002785
BDB002785
|
BDBM45655
COc1ccc(CN2CCN(C(=O)C3CCC(CNS(=O)(=O)c4ccccc4)CC3)CC2)c(OC)c1OC
|
C28H39N3O6S 545.702000 |
OFDIYFROUNQZTR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45655; PubChem:CID16195571
|
Local ready
Direct docking supported
|
|
E3L002786
BDB002786
|
BDBM45656
CC(=O)Nc1ccc(NC(=O)CCn2c(=S)oc3ccccc32)cc1
|
C18H17N3O3S 355.419000 |
FJVWTPDPZFNFCK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45656; PubChem:CID4282311
|
Local ready
Direct docking supported
|
|
E3L002787
BDB002787
|
BDBM45657
CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCN(C)Cc4ccccc4)c3c2)CC1
|
C31H35N5O3S 557.720000 |
RJWIXZYMUAWTFI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45657; PubChem:CID16195594
|
Local ready
Direct docking supported
|
|
E3L002788
BDB002788
|
BDBM45658
CCC(C)NC(=O)CSc1ncnc2sccc12
|
C12H15N3OS2 281.406000 |
GTEPFRJJZWRKPE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45658; PubChem:CID3385586
|
Local ready
Direct docking supported
|
|
E3L002789
BDB002789
|
BDBM45659
COc1ccc(-c2cc(C(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3ccccc3n2)cc1OC
|
C24H22N4O5 446.463000 |
SNMNCBYJIUGYCB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45659; PubChem:CID2359062
|
Local ready
Direct docking supported
|
|
E3L002790
BDB002790
|
4-Benzylsulfanyl-2-methylthieno[2,3-d]pyrimidine
Cc1nc(SCc2ccccc2)c2ccsc2n1
|
C14H12N2S2 272.398000 |
WFBDESOGXYBSLU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45660; PubChem:CID1536661
|
Local ready
Direct docking supported
|
|
E3L002791
BDB002791
|
BDBM45661
CCC(=NNC(=S)NC(C)C)c1ccc(OC(F)F)cc1
|
C14H19F2N3OS 315.389000 |
FCTKOTRLVISSNK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45661
|
Local ready
Direct docking supported
|
|
E3L002792
BDB002792
|
BDBM45662
CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
|
C17H23Cl2NO2 344.282000 |
ZJSORPWYRKFLDQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45662; PubChem:CID3957001
|
Local ready
Direct docking supported
|
|
E3L002793
BDB002793
|
[2-(4-Fluoroanilino)-2-oxoethyl] 2-bromobenzoate
O=C(COC(=O)c1ccccc1Br)Nc1ccc(F)cc1
|
C15H11BrFNO3 352.159000 |
YQBUGEFMHRXONI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45663; PubChem:CID1711221
|
Local ready
Direct docking supported
|
|
E3L002794
BDB002794
|
BDBM45664
CC(=O)NC(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
|
C19H22N4O6 402.407000 |
ZHHYPVVUUUFYHG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45664; PubChem:CID4244537
|
Local ready
Direct docking supported
|
|
E3L002795
BDB002795
|
4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzohydrazide
NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
|
C15H13N3OS2 315.423000 |
YOTGUBMIVSMJKC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45665; PubChem:CID2435403
|
Local ready
Direct docking supported
|
|
E3L002796
BDB002796
|
BDBM45666
CC12CCC(c3c(C(=O)N4CCOCC4)nn(-c4ccccc4)c31)C2(C)C
|
C22H27N3O2 365.477000 |
LPPFLTHBSKJODI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45666; PubChem:CID4226568
|
Local ready
Direct docking supported
|
|
E3L002797
BDB002797
|
BDBM45667
Cc1nn(CCc2nnn[nH]2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12
|
C17H13BrF3N7 452.238000 |
DIDCTDHQEYBHHD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45667; PubChem:CID2100904
|
Local ready
Direct docking supported
|
|
E3L002798
BDB002798
|
BDBM45668
Cc1ccc2nc(NCc3ccccc3)c(/C=N/Cc3cccnc3)c(=O)n2c1
|
C23H21N5O 383.455000 |
HXODNPFTNMVRAF-MFKUBSTISA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45668
|
Local ready
Direct docking supported
|
|
E3L002799
BDB002799
|
BDBM45669
COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1OC
|
C18H22ClNO3 335.831000 |
GTRXJYISJOBLEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45669; PubChem:CID2526884
|
Local ready
Direct docking supported
|
|
E3L002800
BDB002800
|
BDBM45670
COc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2)cc1
|
C16H17ClN2OS 320.845000 |
JBGFMJIKWZNFNA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45670; PubChem:CID2105732
|
Local ready
Direct docking supported
|