| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002621
BDB002621
|
BDBM45490
CCCCc1[nH]c(=O)c(C#N)c2c1CCCC2
|
C14H18N2O 230.311000 |
JXWHYNVISYCBCO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45490; PubChem:CID3773502
|
Local ready
Direct docking supported
|
|
E3L002622
BDB002622
|
BDBM45491
CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
|
C13H19N3O3S 297.380000 |
HVBJWJMYRKDHIF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45491; PubChem:CID135512332
|
Local ready
Direct docking supported
|
|
E3L002623
BDB002623
|
BDBM45492
COc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)c1
|
C21H23ClN4O5 446.891000 |
IJTPCSBOHGJHDM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45492; PubChem:CID4898031
|
Local ready
Direct docking supported
|
|
E3L002624
BDB002624
|
3-(Pyrimidin-2-ylamino)-3H-isobenzofuran-1-one
O=C1OC(Nc2ncccn2)c2ccccc21
|
C12H9N3O2 227.223000 |
DBPOGDUHEMKORJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45493; PubChem:CID2990469
|
Local ready
Direct docking supported
|
|
E3L002625
BDB002625
|
BDBM45494
Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)n1
|
C14H13N3OS 271.345000 |
CLLSLEVELIETIF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45494; PubChem:CID2107595
|
Local ready
Direct docking supported
|
|
E3L002626
BDB002626
|
BDBM45495
CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2c[nH]c3ccccc23)cc1
|
C24H22N6O3S 474.546000 |
MYQHMINLHQDETO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45495; PubChem:CID2410624
|
Local ready
Direct docking supported
|
|
E3L002627
BDB002627
|
BDBM45496
CCC(CO)n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O
|
C23H22N2O4S 422.506000 |
SSCVIULWJKQDQA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45496; PubChem:CID3962956
|
Local ready
Direct docking supported
|
|
E3L002628
BDB002628
|
BDBM45497
O=C(Nc1nc(-c2ccccn2)cs1)c1ncc(Cl)c(Cl)c1Cl
|
C14H7Cl3N4OS 385.663000 |
SUOWMZPHLVFWFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45497; PubChem:CID2477237
|
Local ready
Direct docking supported
|
|
E3L002629
BDB002629
|
BDBM45498
CC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc[nH]3)C2=O)cc1
|
C20H23N3O3 353.422000 |
XAERTESKPLXJJF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45498; PubChem:CID3536869
|
Local ready
Direct docking supported
|
|
E3L002630
BDB002630
|
BDBM45499
O=C(Nc1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
|
C19H16Cl2N4O4S2 499.401000 |
IKIUPKGKSCTCCV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45499; PubChem:CID1322381
|
Local ready
Direct docking supported
|
|
E3L002631
BDB002631
|
3-{[4-(2-methylphenyl)-1-piperazinyl]methyl}-1H-indole
Cc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1
|
C20H23N3 305.425000 |
YQZHTUZDSCIWGT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45500; PubChem:CID792487
|
Local ready
Direct docking supported
|
|
E3L002632
BDB002632
|
BDBM45501
COC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc2c1CCC2
|
C20H17ClN2O4S 416.886000 |
RYISEVBTXVQDOD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45501; PubChem:CID1001041
|
Local ready
Direct docking supported
|
|
E3L002633
BDB002633
|
BDBM45502
COCCNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
|
C11H12Cl2N4O2S 335.216000 |
ZLUHERWQZSAXIH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45502; PubChem:CID2522642
|
Local ready
Direct docking supported
|
|
E3L002634
BDB002634
|
BDBM45503
Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)no1
|
C18H19Cl2N3O6S 476.338000 |
IARBWSWWJRGJKJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45503; PubChem:CID2490732
|
Local ready
Direct docking supported
|
|
E3L002635
BDB002635
|
BDBM45504
Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1
|
C22H23N3O4 393.443000 |
RLDMRPHRFBJWCC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45504; PubChem:CID2672602
|
Local ready
Direct docking supported
|
|
E3L002636
BDB002636
|
N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine
Clc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1
|
C14H11Cl2N5 320.183000 |
SGEHVLXNVNBLRX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45505; PubChem:CID2537679
|
Local ready
Direct docking supported
|
|
E3L002637
BDB002637
|
BDBM45506
O=C1CN(C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c2ccccc2N1
|
C26H20N2O6 456.454000 |
NURLKZGSTCGWDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45506; PubChem:CID2091406
|
Local ready
Direct docking supported
|
|
E3L002638
BDB002638
|
BDBM45507
Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccc(F)cc3)CC2)c1C
|
C22H24FN3O2S 413.518000 |
RXOZQHFEQXFBKO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45507; PubChem:CID1523541
|
Local ready
Direct docking supported
|
|
E3L002639
BDB002639
|
BDBM45508
O=C(COC(=O)COc1ccccc1Cl)Nc1ccccc1OC(F)F
|
C17H14ClF2NO5 385.750000 |
CCTMNERXODMUJJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45508; PubChem:CID2085749
|
Local ready
Direct docking supported
|
|
E3L002640
BDB002640
|
BDBM45509
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
|
C21H19N3O3S2 425.535000 |
KZECXBUILGMOES-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45509; PubChem:CID1226740
|
Local ready
Direct docking supported
|