| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002541
BDB002541
|
1-(2-Ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21
|
C18H20N2O2 296.370000 |
NBCURTAYHLMSQJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45410; PubChem:CID3507993
|
Local ready
Direct docking supported
|
|
E3L002542
BDB002542
|
BDBM45411
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1
|
C18H19N3O3 325.368000 |
DHFHJLRUFGWPSJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45411; PubChem:CID5307221
|
Local ready
Direct docking supported
|
|
E3L002543
BDB002543
|
BDBM45412
Cc1csc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1
|
C18H22N4O5S2 438.531000 |
JMLQXIMJGGOFOG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45412; PubChem:CID5307686
|
Local ready
Direct docking supported
|
|
E3L002544
BDB002544
|
BDBM45413
CCOc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2c(C)noc2C)cc1
|
C21H22FN3O5S 447.488000 |
SCHAXPQHOGRLLW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45413; PubChem:CID5307744
|
Local ready
Direct docking supported
|
|
E3L002545
BDB002545
|
BDBM45414
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1
|
C23H26N4O6S 486.550000 |
SXXXIEIYMIJFQE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45414; PubChem:CID5307831
|
Local ready
Direct docking supported
|
|
E3L002546
BDB002546
|
BDBM45415
Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C)nc2n1
|
C15H17N5 267.336000 |
XRJCWTJMHMNQSW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45415; PubChem:CID5308127
|
Local ready
Direct docking supported
|
|
E3L002547
BDB002547
|
BDBM45416
COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1
|
C17H16ClN5O4S 421.866000 |
MRCNDDUCNRIRIX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45416; PubChem:CID4459896
|
Local ready
Direct docking supported
|
|
E3L002548
BDB002548
|
BDBM45417
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2C)c1
|
C26H28N4O2 428.536000 |
LFPXHKWMBLPDQD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45417; PubChem:CID5309034
|
Local ready
Direct docking supported
|
|
E3L002549
BDB002549
|
BDBM45418
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)cc1
|
C23H24N2O4S 424.522000 |
GCVQIGHVKKCWJF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45418; PubChem:CID5309336
|
Local ready
Direct docking supported
|
|
E3L002550
BDB002550
|
BDBM45419
COc1ccc(C2C(C(=O)Nc3ccccc3OC)C(C)=Nc3ncnn32)cc1
|
C21H21N5O3 391.431000 |
ZTLHXVCKKPQTCM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45419; PubChem:CID91896658
|
Local ready
Direct docking supported
|
|
E3L002551
BDB002551
|
BDBM45420
Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1
|
C15H14FN5OS 331.376000 |
KIYHBSWBCQZPFD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45420; PubChem:CID715198
|
Local ready
Direct docking supported
|
|
E3L002552
BDB002552
|
BDBM45421
CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1
|
C23H25N3O7S 487.534000 |
XLULZGUPCZTUOV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45421; PubChem:CID5309870
|
Local ready
Direct docking supported
|
|
E3L002553
BDB002553
|
BDBM45422
CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1
|
C20H19N3O2S2 397.525000 |
XSUNHXBHUIAZQE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45422; PubChem:CID3703459
|
Local ready
Direct docking supported
|
|
E3L002554
BDB002554
|
BDBM45423
O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCOCC1
|
C21H21ClN2O4S 432.929000 |
XEQLEJOYFXRZGE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45423; PubChem:CID2157647
|
Local ready
Direct docking supported
|
|
E3L002555
BDB002555
|
BDBM45424
COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3N2)cc1
|
C22H19F3N4O4 460.412000 |
SCYPWAIDGDEJCR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45424; PubChem:CID2884658
|
Local ready
Direct docking supported
|
|
E3L002556
BDB002556
|
2-(4-Bromobenzyl)succinic acid
O=C(O)CC(Cc1ccc(Br)cc1)C(=O)O
|
C11H11BrO4 287.109000 |
YEFKUOATBCIQGW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45425; PubChem:CID3091372
|
Local ready
Direct docking supported
|
|
E3L002557
BDB002557
|
BDBM45426
CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2
|
C16H16BrNO4S 398.278000 |
FVBABWGNUZSORX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45426; PubChem:CID1100907
|
Local ready
Direct docking supported
|
|
E3L002558
BDB002558
|
BDBM45427
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CCCCC2O)cc1
|
C21H26N2O4S 402.516000 |
BNGDWMKTNLFHLZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45427; PubChem:CID2865441
|
Local ready
Direct docking supported
|
|
E3L002559
BDB002559
|
(4-(Dimethylamino)phenyl)(morpholino)methanethione
CN(C)c1ccc(C(=S)N2CCOCC2)cc1
|
C13H18N2OS 250.367000 |
VUUOTDMHABHTIG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45428; PubChem:CID691987
|
Local ready
Direct docking supported
|
|
E3L002560
BDB002560
|
quinolin-8-yl N-methyl-N-phenylcarbamate
CN(C(=O)Oc1cccc2cccnc12)c1ccccc1
|
C17H14N2O2 278.311000 |
YBBHRQSZPDDWNW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45429; PubChem:CID701779
|
Local ready
Direct docking supported
|