| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002421
BDB002421
|
BDBM45290
Cc1cc(C)n(-c2nnc(C)n2NS(=O)(=O)c2ccc(F)cc2)n1
|
C14H15FN6O2S 350.379000 |
UBYPQIFSDSVRIE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45290; PubChem:CID645296
|
Local ready
Direct docking supported
|
|
E3L002422
BDB002422
|
BDBM45291
COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nn2cnnc2)cc1
|
C14H17N5O4S 351.388000 |
CRQUHORTLCPXOF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45291; PubChem:CID645451
|
Local ready
Direct docking supported
|
|
E3L002423
BDB002423
|
BDBM45292
CCc1cccc(CC)c1N(COC)C(=O)Cn1c(CO)nc2ccccc21
|
C22H27N3O3 381.476000 |
VTAUMGDVQHDJBL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45292; PubChem:CID645478
|
Local ready
Direct docking supported
|
|
E3L002424
BDB002424
|
1-[4-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-azepane
O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1
|
C16H24N2O4S2 372.512000 |
IJDOYIHEQCCWFV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45293; PubChem:CID646007
|
Local ready
Direct docking supported
|
|
E3L002425
BDB002425
|
BDBM45294
CC1(C)CC(NCc2cccnc2)CC(C)(C)N1
|
C15H25N3 247.386000 |
XOAGOZCLOXAUSV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45294; PubChem:CID646877
|
Local ready
Direct docking supported
|
|
E3L002426
BDB002426
|
BDBM45295
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCOC)c1
|
C21H24N4O5S 444.513000 |
PHNOCXSQCQJILS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45295; PubChem:CID647110
|
Local ready
Direct docking supported
|
|
E3L002427
BDB002427
|
methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate
COC(=O)c1nnc(NC(C)=O)[nH]1
|
C6H8N4O3 184.155000 |
BQKSBCYRDTWIPR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45296; PubChem:CID647229
|
Local ready
Direct docking supported
|
|
E3L002428
BDB002428
|
BDBM45297
Cn1c(-c2ccccc2)cnc1SCC(N)=O
|
C12H13N3OS 247.323000 |
RYELLTXRTGYLJR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45297; PubChem:CID647633
|
Local ready
Direct docking supported
|
|
E3L002429
BDB002429
|
BDBM45298
O=C(COC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1
|
C23H19NO8 437.404000 |
DOOUQJWJCXODNY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45298; PubChem:CID648230
|
Local ready
Direct docking supported
|
|
E3L002430
BDB002430
|
BDBM45299
O=C1c2cccnc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1
|
C20H11N3O3 341.326000 |
DJJHOAXPBRBBGN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45299; PubChem:CID649463
|
Local ready
Direct docking supported
|
|
E3L002431
BDB002431
|
BDBM45300
CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C
|
C20H20N2O3S 368.458000 |
RUTPMPRKXUCPQD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45300; PubChem:CID650283
|
Local ready
Direct docking supported
|
|
E3L002432
BDB002432
|
BDBM45301
CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccccc2)CC1
|
C20H24N6O 364.453000 |
VCQJSGVAQYDNKO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45301; PubChem:CID650397
|
Local ready
Direct docking supported
|
|
E3L002433
BDB002433
|
BDBM45302
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1
|
C24H33N7O2 451.575000 |
RMVAFOBUZYIDQF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45302; PubChem:CID650600
|
Local ready
Direct docking supported
|
|
E3L002434
BDB002434
|
BDBM45303
Cc1nc2nc[nH]n2c(=O)c1NS(C)(=O)=O
|
C7H9N5O3S 243.248000 |
LJNDVVAXJUQLQO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45303; PubChem:CID650629
|
Local ready
Direct docking supported
|
|
E3L002435
BDB002435
|
BDBM45304
Cc1nc2ccccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1
|
C23H27N7 401.518000 |
RCCZRXLNBCHYCR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45304; PubChem:CID650661
|
Local ready
Direct docking supported
|
|
E3L002436
BDB002436
|
2-(4-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
Cc1ccn(CC(=O)O)c(=O)c1
|
C8H9NO3 167.164000 |
TTYWNTQPYNNGLJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45305; PubChem:CID651661
|
Local ready
Direct docking supported
|
|
E3L002437
BDB002437
|
N-(6-methyl-4-oxochromen-2-yl)morpholine-4-carboxamide
Cc1ccc2oc(NC(=O)N3CCOCC3)cc(=O)c2c1
|
C15H16N2O4 288.303000 |
QMEPDSFNMOSZLK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45306; PubChem:CID652192
|
Local ready
Direct docking supported
|
|
E3L002438
BDB002438
|
BDBM45307
COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1
|
C23H29N3O4S 443.569000 |
TYPPIJPVDZFTQR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45307; PubChem:CID653901
|
Local ready
Direct docking supported
|
|
E3L002439
BDB002439
|
4-Chloro-7-ethylamino-chromen-2-one
CCNc1ccc2c(Cl)cc(=O)oc2c1
|
C11H10ClNO2 223.659000 |
OHVFDYQBAHVHMB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45308; PubChem:CID653949
|
Local ready
Direct docking supported
|
|
E3L002440
BDB002440
|
BDBM45309
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)cc12
|
C25H34N6O2 450.587000 |
PNVUPSJQVJOYGR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45309; PubChem:CID654209
|
Local ready
Direct docking supported
|