| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002581
BDB002581
|
5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamide
CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1
|
C14H14BrNO2 308.175000 |
AUKGEVZMXPNOHI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45450; PubChem:CID803330
|
Local ready
Direct docking supported
|
|
E3L002582
BDB002582
|
BDBM45451
COC(Cn1c(C)c(C(C)=O)c(C(C)=O)c1C)OC
|
C14H21NO4 267.325000 |
VUYUSSQWIHTPOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45451; PubChem:CID713980
|
Local ready
Direct docking supported
|
|
E3L002583
BDB002583
|
BDBM45452
Cc1cc(C(C#N)c2cccc(Cl)c2)n2ncnc2n1
|
C14H10ClN5 283.722000 |
BHVNSHKJUIVDRQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45452; PubChem:CID3231375
|
Local ready
Direct docking supported
|
|
E3L002584
BDB002584
|
BDBM45453
CCOC(=O)c1sc(N(C)C(C)=O)nc1C
|
C10H14N2O3S 242.300000 |
QUYPYEYQAFHKSV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45453; PubChem:CID886209
|
Local ready
Direct docking supported
|
|
E3L002585
BDB002585
|
BDBM45454
CC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1
|
C18H17N5O2S 367.434000 |
RAESXHNRMHZWEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45454; PubChem:CID1096329
|
Local ready
Direct docking supported
|
|
E3L002586
BDB002586
|
BDBM45455
COCCN(C(=O)C1CC1)c1nnc(-c2ccc(C)cc2)s1
|
C16H19N3O2S 317.414000 |
JFENYYJBGQKROT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45455; PubChem:CID3212635
|
Local ready
Direct docking supported
|
|
E3L002587
BDB002587
|
3-Isobutyl-2-phenyl-3H-quinazolin-4-one
CC(C)Cn1c(-c2ccccc2)nc2ccccc2c1=O
|
C18H18N2O 278.355000 |
LUMSDFSLXADJDC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45456; PubChem:CID950786
|
Local ready
Direct docking supported
|
|
E3L002588
BDB002588
|
BDBM45457
CC12CCC(C(=O)NC(c3ccccc3)c3ccccc3)(OC1=O)C2(C)C
|
C23H25NO3 363.457000 |
WZPQMHUPXQPZOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45457; PubChem:CID2972701
|
Local ready
Direct docking supported
|
|
E3L002589
BDB002589
|
BDBM45458
C[O+]=N[CH-]c1ccc(Sc2ccccc2N)c([N+](=O)[O-])c1
|
C14H13N3O3S 303.343000 |
CONHBNHIYPPSDW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45458
|
Local ready
Direct docking supported
|
|
E3L002590
BDB002590
|
BDBM45459
CC1=NC2=C(C(=O)CC(c3ccco3)C2)C(c2cccc(C(F)(F)F)c2)C1C(=O)OCC1CCCO1
|
C27H26F3NO5 501.501000 |
GBBKRROPOLNZNI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45459; PubChem:CID74471753
|
Local ready
Direct docking supported
|
|
E3L002591
BDB002591
|
N-(4-Ethoxy-benzyl)-[1,3,5]triazine-2,4-diamine
CCOc1ccc(CNc2ncnc(N)n2)cc1
|
C12H15N5O 245.286000 |
GPDOWTGVFPWUDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45460; PubChem:CID540728
|
Local ready
Direct docking supported
|
|
E3L002592
BDB002592
|
BDBM45461
C[n+]1ccn(C(=O)N(c2ccccc2)c2ccccc2)c1
|
C17H16N3O+ 278.335000 |
UCZNOMDTMQAINN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45461; PubChem:CID915591
|
Local ready
Direct docking supported
|
|
E3L002593
BDB002593
|
N-(2-methylphenyl)-1-phenazinecarboxamide
Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12
|
C20H15N3O 313.360000 |
YTAITZRBXMKGJJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45462; PubChem:CID4364019
|
Local ready
Direct docking supported
|
|
E3L002594
BDB002594
|
2-(2-Carboxyacetamido)benzoic acid
O=C(O)CC(=O)Nc1ccccc1C(=O)O
|
C10H9NO5 223.184000 |
ZDSSCYCDBASEJQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45463; PubChem:CID439922
|
Local ready
Direct docking supported
|
|
E3L002595
BDB002595
|
BDBM45464
Cc1c(NC(=O)c2ccc(Br)o2)cccc1C(=O)O
|
C13H10BrNO4 324.130000 |
DEQCEMWHNABHKA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45464; PubChem:CID973206
|
Local ready
Direct docking supported
|
|
E3L002596
BDB002596
|
BDBM45465
CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21
|
C27H26FN5O4 503.534000 |
WSFVEAGQLNHYTR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45465; PubChem:CID1895569
|
Local ready
Direct docking supported
|
|
E3L002597
BDB002597
|
BDBM45466
COc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)c(OC)cc1Cl
|
C19H16ClF3N4O3 440.809000 |
SOINLPPCOULWLA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45466; PubChem:CID2981801
|
Local ready
Direct docking supported
|
|
E3L002598
BDB002598
|
BDBM45467
CCC(C)NC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
|
C19H20N4O3S2 416.528000 |
PPYYOIXOWFPLCL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45467; PubChem:CID4170428
|
Local ready
Direct docking supported
|
|
E3L002599
BDB002599
|
N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide
Cc1ccc(NC(=O)CCn2cccc2)cc1C
|
C15H18N2O 242.322000 |
LVVGKPGKLWGIFV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45468; PubChem:CID6941500
|
Local ready
Direct docking supported
|
|
E3L002600
BDB002600
|
8-Bromo-6-methyl-2,3,4,9-tetrahydrocarbazol-1-one
Cc1cc(Br)c2[nH]c3c(c2c1)CCCC3=O
|
C13H12BrNO 278.149000 |
RSSWDLORGLOJNQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45469; PubChem:CID878508
|
Local ready
Direct docking supported
|