| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001761
BDB001761
|
Furan-2-carboxylic acid 5-chloro-quinolin-8-yl ester
O=C(Oc1ccc(Cl)c2cccnc12)c1ccco1
|
C14H8ClNO3 273.675000 |
ANWBJZCIAVOROI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33451; PubChem:CID699693
|
Local ready
Direct docking supported
|
|
E3L001762
BDB001762
|
(2-Methyl-benzyl)-pyridin-3-ylmethyl-amine
Cc1ccccc1CNCc1cccnc1
|
C14H16N2 212.296000 |
OIUSANOAUHEIFK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33452; PubChem:CID846157
|
Local ready
Direct docking supported
|
|
E3L001763
BDB001763
|
BDBM33453
COc1ccc(C(=O)n2cnnc2N)cc1
|
C10H10N4O2 218.216000 |
GEWIUKZEFCKWDD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33453; PubChem:CID2938648
|
Local ready
Direct docking supported
|
|
E3L001764
BDB001764
|
BDBM33454
COc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1
|
C14H12N4O3 284.275000 |
VLVDOLXNKMIANU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33454; PubChem:CID1084416
|
Local ready
Direct docking supported
|
|
E3L001765
BDB001765
|
BDBM33455
COc1ccc(C=c2sc3n(c2=O)NC2(c4ccccc4)N(C)C(=O)N(C)C2(c2ccccc2)N=3)cc1
|
C28H25N5O3S 511.607000 |
MMGMNUOTXKHGRH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33455; PubChem:CID4518826
|
Local ready
Direct docking supported
|
|
E3L001766
BDB001766
|
4-Methylumbelliferyl acetate
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
|
C12H10O4 218.208000 |
HXVZGASCDAGAPS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33456; PubChem:CID366
|
Local ready
Direct docking supported
|
|
E3L001767
BDB001767
|
4,7-dimethyl-2-oxo-2H-chromen-5-yl 2-furoate
Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1
|
C16H12O5 284.267000 |
FLDPNZDDXLRGPI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33457; PubChem:CID1249798
|
Local ready
Direct docking supported
|
|
E3L001768
BDB001768
|
N-isopropyl-2-biphenylcarboxamide
CC(C)NC(=O)c1ccccc1-c1ccccc1
|
C16H17NO 239.318000 |
DLBJFXIPEFDCND-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33458; PubChem:CID976213
|
Local ready
Direct docking supported
|
|
E3L001769
BDB001769
|
BDBM33459
Cc1ccc2nc(C(C#N)=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1
|
C22H21N5O2 387.443000 |
WLPODNUCECUFHZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33459; PubChem:CID2849741
|
Local ready
Direct docking supported
|
|
E3L001770
BDB001770
|
BDBM33460
Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
|
C18H19NO3S 329.421000 |
NNJGMVKEYJFXRO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33460; PubChem:CID4110795
|
Local ready
Direct docking supported
|
|
E3L001771
BDB001771
|
BDBM33461
Cc1ccc(CNC(=O)C[S+]([O-])CC(=O)O)cc1
|
C12H15NO4S 269.322000 |
CUWXNCKFXYYJLE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33461; PubChem:CID3809586
|
Local ready
Direct docking supported
|
|
E3L001772
BDB001772
|
BDBM33462
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
|
C22H36ClN3O3S 458.068000 |
DXBZDZHNXFUJAH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33462; PubChem:CID9550385
|
Local ready
Direct docking supported
|
|
E3L001773
BDB001773
|
2-(4-Ethylphenyl)-2-oxoethyl 2-thiophenecarboxylate
CCc1ccc(C(=O)COC(=O)c2cccs2)cc1
|
C15H14O3S 274.341000 |
FICMKUVLQYGBSU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33463; PubChem:CID902762
|
Local ready
Direct docking supported
|
|
E3L001774
BDB001774
|
BDBM33464
[C]C1=[C]C(=NOC(=O)c2cccc([N+](=O)[O-])c2)[C]=C([C])C1=O
|
C15H4N2O5 292.206000 |
PGQCNUCKDKQXHK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33464
|
Local ready
Direct docking supported
|
|
E3L001775
BDB001775
|
BDBM33465
COc1ccc(-c2nc(N)n(C(=O)Cc3ccccc3)n2)cc1
|
C17H16N4O2 308.341000 |
MDIYVBOFPAESAX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33465; PubChem:CID753277
|
Local ready
Direct docking supported
|
|
E3L001776
BDB001776
|
1-butyryl-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CCCC(=O)n1nc(-c2cccnc2)nc1N
|
C11H13N5O 231.259000 |
AKHBGHIMIKHILP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33466; PubChem:CID970872
|
Local ready
Direct docking supported
|
|
E3L001777
BDB001777
|
BDBM33467
C=c1cc2[nH]c(=O)c(=Cc3ccc(OCCOc4ccccc4)c(OCC)c3)c(=N)n2o1
|
C24H23N3O5 433.464000 |
WXVXOCWOURVFQN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33467; PubChem:CID91896187
|
Local ready
Direct docking supported
|
|
E3L001778
BDB001778
|
BDBM33468
N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1F
|
C20H15FN2O2S 366.417000 |
KIGZXZVQNMKEFQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33468; PubChem:CID9551247
|
Local ready
Direct docking supported
|
|
E3L001779
BDB001779
|
(4-Morpholin-4-yl-1,2,5-thiadiazol-3-yl) benzoate
O=C(Oc1nsnc1N1CCOCC1)c1ccccc1
|
C13H13N3O3S 291.332000 |
RQOPSFJRTNGANZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33469; PubChem:CID674516
|
Local ready
Direct docking supported
|
|
E3L001780
BDB001780
|
(5Z)-2-phenyl-5-(thiophen-2-ylmethylidene)-4-thiazolone
O=C1N=C(c2ccccc2)S/C1=C\c1cccs1
|
C14H9NOS2 271.366000 |
NWASVBKZJPXEAH-XFXZXTDPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33470; PubChem:CID9551287
|
Local ready
Direct docking supported
|