| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002001
BDB002001
|
BDBM40334
CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1
|
C18H24ClN3O6S 445.925000 |
VICOOPXYHIKIRC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40334; PubChem:CID651207
|
Local ready
Direct docking supported
|
|
E3L002002
BDB002002
|
BDBM40335
Cc1ccc(NC(=O)C[S+]([O-])CC(=O)NCC2CCCO2)cc1
|
C16H22N2O4S 338.429000 |
GJNJTCMFMPRCGZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40335; PubChem:CID651444
|
Local ready
Direct docking supported
|
|
E3L002003
BDB002003
|
BDBM40336
CC(C)C1c2c(-c3cccs3)n[nH]c2OC(=N)C1C#N
|
C14H14N4OS 286.360000 |
ATOVWWWCVPTFHH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40336; PubChem:CID91896443
|
Local ready
Direct docking supported
|
|
E3L002004
BDB002004
|
BDBM40337
COc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1
|
C20H19FN2O4 370.380000 |
AFHUVGLMRIPVIY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40337; PubChem:CID652662
|
Local ready
Direct docking supported
|
|
E3L002005
BDB002005
|
BDBM40338
Cc1nnc(NC(=O)C2CCN(c3cnccn3)CC2)s1
|
C13H16N6OS 304.379000 |
FCBKSTCIAHYTOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40338; PubChem:CID653442
|
Local ready
Direct docking supported
|
|
E3L002006
BDB002006
|
Methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate
COC(=O)COc1cccc(-n2cnnn2)c1
|
C10H10N4O3 234.215000 |
SANJOXKQMJSCCF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40339; PubChem:CID653890
|
Local ready
Direct docking supported
|
|
E3L002007
BDB002007
|
BDBM40340
CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1
|
C24H28N4O 388.515000 |
ZEBRMTVTXWFYBM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40340; PubChem:CID658245
|
Local ready
Direct docking supported
|
|
E3L002008
BDB002008
|
BDBM40341
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)N1CCOCC1
|
C17H21N3O5 347.371000 |
GHFUXARNTUREFC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40341; PubChem:CID660697
|
Local ready
Direct docking supported
|
|
E3L002009
BDB002009
|
8-methyl-N-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-amine
C=CCNc1ncnc2c1[nH]c1ccc(C)cc12
|
C14H14N4 238.294000 |
HMKHTZJLQYRQSJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40342; PubChem:CID664196
|
Local ready
Direct docking supported
|
|
E3L002010
BDB002010
|
BDBM40343
CCc1cc2cc(C(=O)Nc3ccccc3F)sc2s1
|
C15H12FNOS2 305.399000 |
WHLQQOPJXRTWRO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40343; PubChem:CID664493
|
Local ready
Direct docking supported
|
|
E3L002011
BDB002011
|
BDBM40344
COc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1
|
C24H22N4O4S2 494.598000 |
ICSHLXOIOCNYGL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40344; PubChem:CID665989
|
Local ready
Direct docking supported
|
|
E3L002012
BDB002012
|
BDBM40345
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1
|
C21H29N3O4S2 451.614000 |
BVNVBSOEFMFBJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40345; PubChem:CID2997555
|
Local ready
Direct docking supported
|
|
E3L002013
BDB002013
|
BDBM40346
COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2N)cc1OC
|
C16H18N6O4S 390.425000 |
RFDRLOHWIWKODP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40346; PubChem:CID2078706
|
Local ready
Direct docking supported
|
|
E3L002014
BDB002014
|
BDBM40347
O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1
|
C22H26N4O5S 458.540000 |
UGEAOHAHWYPTFF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40347; PubChem:CID2997841
|
Local ready
Direct docking supported
|
|
E3L002015
BDB002015
|
[2-(4-Acetylanilino)-2-oxoethyl] 2-acetamidoacetate
CC(=O)NCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1
|
C14H16N2O5 292.291000 |
WLWAKHVTQODTJV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40348; PubChem:CID2418751
|
Local ready
Direct docking supported
|
|
E3L002016
BDB002016
|
BDBM40349
C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)N(C)C1CCS(=O)(=O)C1
|
C21H28N4O4S2 464.613000 |
ZXLJWXPMNKGASO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40349; PubChem:CID2999475
|
Local ready
Direct docking supported
|
|
E3L002017
BDB002017
|
BDBM40350
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1
|
C23H30N4O4S 458.584000 |
WDHXJJDMPBYSPB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40350; PubChem:CID2093033
|
Local ready
Direct docking supported
|
|
E3L002018
BDB002018
|
BDBM40351
Cn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O
|
C23H24N4O3 404.470000 |
XQFMAOSAMUMPHE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40351; PubChem:CID2087892
|
Local ready
Direct docking supported
|
|
E3L002019
BDB002019
|
BDBM40352
Cc1noc(C)c1COC(=O)Cc1ccc(Cl)cc1
|
C14H14ClNO3 279.723000 |
XCLSPNCGCOYKEW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40352; PubChem:CID2433558
|
Local ready
Direct docking supported
|
|
E3L002020
BDB002020
|
BDBM40353
C=CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C
|
C18H19N5O2S 369.450000 |
RTSRRSYBTPIYRS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40353; PubChem:CID3236094
|
Local ready
Direct docking supported
|