| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002761
BDB002761
|
BDBM45631
O=C(O)Cc1ccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1
|
C19H15N3O7 397.343000 |
YADQMOCGCHWYFL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45631; PubChem:CID1262374
|
Local ready
Direct docking supported
|
|
E3L002762
BDB002762
|
N-(pentan-2-yl)-2-phenylacetamide
CCCC(C)NC(=O)Cc1ccccc1
|
C13H19NO 205.301000 |
USEXPDQDHPXYDI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45632; PubChem:CID2886843
|
Local ready
Direct docking supported
|
|
E3L002763
BDB002763
|
BDBM45633
CCOc1cc(NC(=S)NCCCN2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)cc1
|
C26H36N4O4S 500.665000 |
HAQGYKSEKAHDRK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45633; PubChem:CID3170820
|
Local ready
Direct docking supported
|
|
E3L002764
BDB002764
|
BDBM45634
CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1
|
C14H16N4O3S2 352.441000 |
KAVLQPKLORUJNG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45634; PubChem:CID599970
|
Local ready
Direct docking supported
|
|
E3L002765
BDB002765
|
BDBM45635
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1cccnc1
|
C22H19N3O3 373.412000 |
CWPZSHSISUCXSC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45635; PubChem:CID2851703
|
Local ready
Direct docking supported
|
|
E3L002766
BDB002766
|
BDBM45636
Nc1nc(-c2ccco2)nn1C(=O)c1ccc(F)cc1
|
C13H9FN4O2 272.239000 |
QOEJNDOIEPTHBU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45636; PubChem:CID828589
|
Local ready
Direct docking supported
|
|
E3L002767
BDB002767
|
BDBM45637
COC(=O)c1ccc(C(C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)Cc2cccs2)cc1
|
C28H37N3O5S 527.687000 |
KGOLMXAQOJWMBK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45637; PubChem:CID3191170
|
Local ready
Direct docking supported
|
|
E3L002768
BDB002768
|
3-(4-bromophenyl)-5-methylsulfonyl-1H-1,2,4-triazole
CS(=O)(=O)c1nnc(-c2ccc(Br)cc2)[nH]1
|
C9H8BrN3O2S 302.153000 |
CCQNHHHQXYOSMJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45638; PubChem:CID726126
|
Local ready
Direct docking supported
|
|
E3L002769
BDB002769
|
BDBM45639
CN(N=Cc1ccc2c(c1)OCO2)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
|
C20H25N7O4 427.465000 |
HCPGMEYSYAMBNF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45639
|
Local ready
Direct docking supported
|
|
E3L002770
BDB002770
|
4-(dimethylamino)-N-(1,3-dioxoisoindol-2-yl)benzamide
CN(C)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
|
C17H15N3O3 309.325000 |
XLSZVXKBJCLWJZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45640; PubChem:CID820980
|
Local ready
Direct docking supported
|
|
E3L002771
BDB002771
|
BDBM45641
CCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1
|
C18H20N2O5 344.367000 |
CFKQZBSQNFEMQQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45641; PubChem:CID1903239
|
Local ready
Direct docking supported
|
|
E3L002772
BDB002772
|
BDBM45642
NC(=NOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1
|
C13H9ClN4O4 320.692000 |
QJAGWMIVTRIBFO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45642
|
Local ready
Direct docking supported
|
|
E3L002773
BDB002773
|
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline
COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])cc2C)c1
|
C16H18N2O4 302.330000 |
QITGCGNZEURVBM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45643; PubChem:CID2852237
|
Local ready
Direct docking supported
|
|
E3L002774
BDB002774
|
4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CC1CCOC2(O1)C(=O)Nc1ccccc12
|
C12H13NO3 219.240000 |
CABHZQQZJZDWNZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45644; PubChem:CID2921040
|
Local ready
Direct docking supported
|
|
E3L002775
BDB002775
|
BDBM45645
O=C(CNC(=S)N(Cc1ccccc1)Cc1ccccc1F)NCCc1ccccc1
|
C25H26FN3OS 435.568000 |
ITQXCPNPSZOQHN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45645; PubChem:CID4985031
|
Local ready
Direct docking supported
|
|
E3L002776
BDB002776
|
BDBM45646
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)NCC3CCCO3)c2=O)cc1OC
|
C28H34N4O7 538.601000 |
YTTBYIGPMXFNNH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45646; PubChem:CID16193496
|
Local ready
Direct docking supported
|
|
E3L002777
BDB002777
|
BDBM45647
O=C(NCCCN1CCCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3
|
C21H26ClN3O 371.912000 |
NDVNRMFVHPDGAY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45647; PubChem:CID6619646
|
Local ready
Direct docking supported
|
|
E3L002778
BDB002778
|
BDBM45648
CCOc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
|
C23H26N4O6S 486.550000 |
MWMBIUUYBQWKJX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45648; PubChem:CID16008186
|
Local ready
Direct docking supported
|
|
E3L002779
BDB002779
|
BDBM45649
O=C1N=C(Nc2ccccc2)SC1=Cc1cccs1
|
C14H10N2OS2 286.381000 |
IJDVDZUKMOBGCV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45649; PubChem:CID135420509
|
Local ready
Direct docking supported
|
|
E3L002780
BDB002780
|
BDBM45650
C=CCN1C(=O)C(=NNC(=S)Nc2ccccc2F)c2cc(S(=O)(=O)N3CCOCC3)ccc21
|
C22H22FN5O4S2 503.581000 |
REWYLEITUFMHNR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45650
|
Local ready
Direct docking supported
|