| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002721
BDB002721
|
BDBM45591
COC(=O)c1ccc(NC(=S)Nc2ccc(O)cc2)cc1
|
C15H14N2O3S 302.355000 |
GHAGEDPJJVVFKL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45591; PubChem:CID726319
|
Local ready
Direct docking supported
|
|
E3L002722
BDB002722
|
BDBM45592
COc1ccc(C2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)cc1OC
|
C20H25NO6S 407.488000 |
RIIYMTKJORVDNL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45592; PubChem:CID2969665
|
Local ready
Direct docking supported
|
|
E3L002723
BDB002723
|
N-(3-methoxyphenyl)-N'-3-pyridinylurea
COc1cccc(NC(=O)Nc2cccnc2)c1
|
C13H13N3O2 243.266000 |
GKIAWSXZHIOODH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45593; PubChem:CID1297960
|
Local ready
Direct docking supported
|
|
E3L002724
BDB002724
|
N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide
CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])cc1
|
C16H18N4O5S 378.410000 |
RZVYXNHHSWTJSC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45594; PubChem:CID2952108
|
Local ready
Direct docking supported
|
|
E3L002725
BDB002725
|
BDBM45595
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(C(=O)O)ccc1C
|
C21H18N2O4S 394.452000 |
CEXXBODPZONRKG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45595; PubChem:CID1870190
|
Local ready
Direct docking supported
|
|
E3L002726
BDB002726
|
4,5-dichloro-2-(4-fluorobenzyl)pyridazin-3(2H)-one
O=c1c(Cl)c(Cl)cnn1Cc1ccc(F)cc1
|
C11H7Cl2FN2O 273.094000 |
LLNJUQCJFCJEPC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45596; PubChem:CID675202
|
Local ready
Direct docking supported
|
|
E3L002727
BDB002727
|
BDBM45597
Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1[N+](=O)[O-]
|
C16H18N4O3 314.345000 |
OYTZRLUOXFFKPF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45597; PubChem:CID2162320
|
Local ready
Direct docking supported
|
|
E3L002728
BDB002728
|
4,6-Difluoro-2-pyrrolidin-1-yl-1,3-benzothiazole
Fc1cc(F)c2nc(N3CCCC3)sc2c1
|
C11H10F2N2S 240.278000 |
GLMSPRQFIUTZAB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45598; PubChem:CID7110153
|
Local ready
Direct docking supported
|
|
E3L002729
BDB002729
|
BDBM45599
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCN1CCOCC1
|
C17H19F3N4O3S 416.425000 |
LMVPBWNAAHMCDP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45599; PubChem:CID1152592
|
Local ready
Direct docking supported
|
|
E3L002730
BDB002730
|
BDBM45600
Nc1nnc(SCn2nnc3ccccc3c2=O)[nH]1
|
C10H9N7OS 275.297000 |
YQAKUPFQWPAJMA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45600; PubChem:CID2121353
|
Local ready
Direct docking supported
|
|
E3L002731
BDB002731
|
BDBM45601
COc1ccc(Nc2nnc(SC(C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cc1
|
C25H24N4O2S2 476.627000 |
RZRJNQVOICXSBN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45601; PubChem:CID4172178
|
Local ready
Direct docking supported
|
|
E3L002732
BDB002732
|
4-oxo-N-(2-phenylethyl)-4H-chromene-2-carboxamide
O=C(NCCc1ccccc1)c1cc(=O)c2ccccc2o1
|
C18H15NO3 293.322000 |
HSCXPCBNVKUKRZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45602; PubChem:CID1330165
|
Local ready
Direct docking supported
|
|
E3L002733
BDB002733
|
BDBM45603
S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1
|
C14H11N5OS 297.343000 |
MUSJFLNMBQBELM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45603; PubChem:CID2927966
|
Local ready
Direct docking supported
|
|
E3L002734
BDB002734
|
BDBM45604
COc1ccc(Cl)cc1NC(=S)NNC(=O)C1(C)CC1(Cl)Cl
|
C13H14Cl3N3O2S 382.700000 |
DVJUIESPHLXJBC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45604; PubChem:CID2956455
|
Local ready
Direct docking supported
|
|
E3L002735
BDB002735
|
1-benzoyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
COc1ccc(-c2nc(N)n(C(=O)c3ccccc3)n2)cc1
|
C16H14N4O2 294.314000 |
ZORHHXHFYWHARS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45605; PubChem:CID753280
|
Local ready
Direct docking supported
|
|
E3L002736
BDB002736
|
BDBM45606
CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1
|
C22H24N4O3S 424.526000 |
PDAZNMVZHNWPAZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45606; PubChem:CID1262768
|
Local ready
Direct docking supported
|
|
E3L002737
BDB002737
|
BDBM45607
O=Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1
|
C16H12F3NO3 323.270000 |
NIPGCGRYZHTRCC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45607; PubChem:CID2222433
|
Local ready
Direct docking supported
|
|
E3L002738
BDB002738
|
Methyl 2-[(4-methylpyridin-2-yl)carbamoylamino]benzoate
COC(=O)c1ccccc1NC(=O)Nc1cc(C)ccn1
|
C15H15N3O3 285.303000 |
CCAZEZTXWRQEIE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45608; PubChem:CID6467137
|
Local ready
Direct docking supported
|
|
E3L002739
BDB002739
|
1-(3-Methoxyphenyl)-3-[2-(methylthio)phenyl]urea
COc1cccc(NC(=O)Nc2ccccc2SC)c1
|
C15H16N2O2S 288.372000 |
JTKXTGXHHYEMKU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45609; PubChem:CID6466475
|
Local ready
Direct docking supported
|
|
E3L002740
BDB002740
|
BDBM45610
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCC1
|
C19H19N3O4 353.378000 |
ADEVCVFREQYPCA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45610; PubChem:CID1304595
|
Local ready
Direct docking supported
|