| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002661
BDB002661
|
BDBM45531
Cc1cc(C(=O)NN=Cc2cccc(OC(=O)c3ccco3)c2)[nH]n1
|
C17H14N4O4 338.323000 |
UFLDJWQXONMZOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45531
|
Local ready
Direct docking supported
|
|
E3L002662
BDB002662
|
BDBM45532
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccccc2)cc1
|
C24H30N2O3S 426.582000 |
LARASQYZTMCTHB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45532; PubChem:CID2300597
|
Local ready
Direct docking supported
|
|
E3L002663
BDB002663
|
BDBM45533
CCN1C(=O)/C(=C\c2ccco2)C(C(=O)OC)=C1C
|
C14H15NO4 261.277000 |
NPYZARSEJHVMRF-FLIBITNWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45533; PubChem:CID2300736
|
Local ready
Direct docking supported
|
|
E3L002664
BDB002664
|
BDBM45534
O=C(Cc1ccccc1)NC(NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl
|
C17H14Cl5N3OS 485.651000 |
VZYJKEIYBZAVDV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45534; PubChem:CID2830067
|
Local ready
Direct docking supported
|
|
E3L002665
BDB002665
|
BDBM45535
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2ccco2)cc1
|
C26H24N2O4S 460.555000 |
YHLJDYHFZNAZDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45535; PubChem:CID1367993
|
Local ready
Direct docking supported
|
|
E3L002666
BDB002666
|
BDBM45536
Cc1cccc(C(=O)ON=C2C(=O)N(C)c3ccccc32)c1
|
C17H14N2O3 294.310000 |
IJHNNYZJAPTFPJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45536
|
Local ready
Direct docking supported
|
|
E3L002667
BDB002667
|
N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide
N#CC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCCC1
|
C19H17FN2O 308.356000 |
NPJCZPMYQRFMMB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45537; PubChem:CID975128
|
Local ready
Direct docking supported
|
|
E3L002668
BDB002668
|
BDBM45538
Cc1nn2c(CN(C(=O)CN3CCOCC3)c3ccccc3)nnc2c2ccccc12
|
C23H24N6O2 416.485000 |
HFDCGSYTMQPACM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45538; PubChem:CID1243622
|
Local ready
Direct docking supported
|
|
E3L002669
BDB002669
|
BDBM45539
COC(=O)CC1C(=O)NCCN1C(=S)Nc1cccc(C)c1
|
C15H19N3O3S 321.402000 |
NLVPATXVFMATLN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45539; PubChem:CID2949761
|
Local ready
Direct docking supported
|
|
E3L002670
BDB002670
|
6-(2,3-dimethylanilino)-1H-pyrimidine-2,4-dione
Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C
|
C12H13N3O2 231.255000 |
KERORBSHJQVAQD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45540; PubChem:CID308647
|
Local ready
Direct docking supported
|
|
E3L002671
BDB002671
|
BDBM45541
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)(C)C)cc1
|
C25H25N3O5 447.491000 |
WGXNPTNIXGROQI-RCCKNPSSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45541; PubChem:CID1604503
|
Local ready
Direct docking supported
|
|
E3L002672
BDB002672
|
BDBM45542
COc1cc(C(=O)ON=C2C=C(C)C(=O)C=C2C)cc(OC)c1OC
|
C18H19NO6 345.351000 |
ASQNBYMCDOCGTP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45542
|
Local ready
Direct docking supported
|
|
E3L002673
BDB002673
|
BDBM45543
COc1cc(C(=O)ON=C2C=CC(=O)C=C2C)cc(OC)c1OC
|
C17H17NO6 331.324000 |
SCOWMESNGFMXFR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45543
|
Local ready
Direct docking supported
|
|
E3L002674
BDB002674
|
BDBM45544
O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1nc(-c2ccccc2)cs1
|
C23H21N4OS+ 401.515000 |
KPOVWBYKXSITCX-UHFFFAOYSA-O | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45544; PubChem:CID1996395
|
Local ready
Direct docking supported
|
|
E3L002675
BDB002675
|
BDBM45545
Cc1ccc(CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1
|
C20H18N4S 346.459000 |
FMOWRWARZPTVDZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45545; PubChem:CID1997013
|
Local ready
Direct docking supported
|
|
E3L002676
BDB002676
|
BDBM45546
O=C1NC(=S)N(C2CC2)C(=O)/C1=C/c1ccc2c(c1)CCN2CCCCl
|
C19H20ClN3O2S 389.908000 |
OZVJFSDUSSGCSJ-RVDMUPIBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45546; PubChem:CID1993471
|
Local ready
Direct docking supported
|
|
E3L002677
BDB002677
|
BDBM45547
CC(=NNC(=O)c1cccc(N=NC(C)c2ccccc2)c1)c1ccccc1
|
C23H22N4O 370.456000 |
LCLBEJWMNSCKSL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45547
|
Local ready
Direct docking supported
|
|
E3L002678
BDB002678
|
BDBM45548
O=C(Nc1ccc(F)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1
|
C17H13F7N2O3 426.288000 |
FHLVPAUKSIYTGV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45548; PubChem:CID3679708
|
Local ready
Direct docking supported
|
|
E3L002679
BDB002679
|
BDBM45549
O=C(COC(=O)/C=C/c1ccco1)Nc1cccc([N+](=O)[O-])c1
|
C15H12N2O6 316.269000 |
VAZOCERXUAXWJG-VOTSOKGWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45549; PubChem:CID2347806
|
Local ready
Direct docking supported
|
|
E3L002680
BDB002680
|
BDBM45550
C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(Cl)cc1
|
C18H15Cl2N5OS 420.325000 |
DKYXXCBKKAOGBM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45550; PubChem:CID2125687
|
Local ready
Direct docking supported
|