| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002601
BDB002601
|
BDBM45470
CCOC(=O)CSc1snnc1-c1ccccc1
|
C12H12N2O2S2 280.374000 |
MGTQBMIGNHMCIF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45470; PubChem:CID1473962
|
Local ready
Direct docking supported
|
|
E3L002602
BDB002602
|
BDBM45471
COc1cc(C=C(C(C)=O)C(C)=O)ccc1O
|
C13H14O4 234.251000 |
XMAWAPAJKQHUHU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45471; PubChem:CID294770
|
Local ready
Direct docking supported
|
|
E3L002603
BDB002603
|
BDBM45472
CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
|
C22H29N3O3 383.492000 |
GGASVRVMOZGIMT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45472; PubChem:CID3964693
|
Local ready
Direct docking supported
|
|
E3L002604
BDB002604
|
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-methylphenyl)urea
Cc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1
|
C16H16N2O3 284.315000 |
BLCGUPSWXUSDOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45473; PubChem:CID2243429
|
Local ready
Direct docking supported
|
|
E3L002605
BDB002605
|
BDBM45474
CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1
|
C18H20N4O3S 372.450000 |
BJWONPQIIOGGNY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45474
|
Local ready
Direct docking supported
|
|
E3L002606
BDB002606
|
BDBM45475
CCC(CC)c1nnc(NC(=O)Oc2ccccc2)s1
|
C14H17N3O2S 291.376000 |
UKNWKIBYNQFWHF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45475; PubChem:CID735090
|
Local ready
Direct docking supported
|
|
E3L002607
BDB002607
|
BDBM45476
COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
|
C17H19NO6S 365.407000 |
WPMSXDXXOPNQNP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45476; PubChem:CID1006841
|
Local ready
Direct docking supported
|
|
E3L002608
BDB002608
|
BDBM45477
COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CCc4ccccc4C3)ccc12
|
C26H23NO5 429.472000 |
GSNSZQXXSDUZND-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45477; PubChem:CID2188922
|
Local ready
Direct docking supported
|
|
E3L002609
BDB002609
|
Pentyl (5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CCCCCOC(=O)Nc1nnc(CCCCC)s1
|
C13H23N3O2S 285.413000 |
MRNPJDJHYLFSFP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45478; PubChem:CID2207802
|
Local ready
Direct docking supported
|
|
E3L002610
BDB002610
|
(3Z)-3-[(isopropylamino)methylene]oxindole
CC(C)N=CC1C(=O)Nc2ccccc21
|
C12H14N2O 202.257000 |
WCBXNUGLFKMCBA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45479; PubChem:CID91896661
|
Local ready
Direct docking supported
|
|
E3L002611
BDB002611
|
BDBM45480
CC1CCCN(C(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)C1
|
C18H24N4O3S2 408.549000 |
KLURMKGZDDMAEC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45480; PubChem:CID9551219
|
Local ready
Direct docking supported
|
|
E3L002612
BDB002612
|
2-[(4-Propoxybenzoyl)amino]propanoic acid
CCCOc1ccc(C(=O)NC(C)C(=O)O)cc1
|
C13H17NO4 251.282000 |
ZKPPSFKYENSMLE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45481; PubChem:CID5057326
|
Local ready
Direct docking supported
|
|
E3L002613
BDB002613
|
BDBM45482
COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1
|
C17H16N2O2S2 344.461000 |
PZOXRWHIFUFFGV-XNTDXEJSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45482; PubChem:CID2190841
|
Local ready
Direct docking supported
|
|
E3L002614
BDB002614
|
BDBM45483
Cc1c(NC(=O)CSc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C
|
C20H18N4O2S2 410.524000 |
FRYVANOCHOXQSZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45483; PubChem:CID2264841
|
Local ready
Direct docking supported
|
|
E3L002615
BDB002615
|
BDBM45484
CCc1c(C)nc(N)nc1N1N=C1SCC#N
|
C10H12N6S 248.315000 |
DLOHALUYYBFMDI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45484; PubChem:CID2224612
|
Local ready
Direct docking supported
|
|
E3L002616
BDB002616
|
BDBM45485
Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1
|
C20H21ClN6 380.883000 |
XVHXOCAAWQSDMK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45485; PubChem:CID1286476
|
Local ready
Direct docking supported
|
|
E3L002617
BDB002617
|
BDBM45486
Cc1cc(C)c(O)c(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]n2)c1
|
C20H19N3O4 365.389000 |
IECRTUQVPQROOR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45486; PubChem:CID1833503
|
Local ready
Direct docking supported
|
|
E3L002618
BDB002618
|
BDBM45487
COC(=O)Cc1c(C)nc2nc(-c3ccc(C)cc3)[nH]n2c1=O
|
C16H16N4O3 312.329000 |
XQOXJWFSAWMBHM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45487; PubChem:CID1872769
|
Local ready
Direct docking supported
|
|
E3L002619
BDB002619
|
BDBM45488
O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccc(F)cc1
|
C18H16FN3OS 341.411000 |
CBZBMUDELIVGRR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45488; PubChem:CID947221
|
Local ready
Direct docking supported
|
|
E3L002620
BDB002620
|
BDBM45489
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccccc2)cc1
|
C28H23N3O4 465.509000 |
BBCDVTQRQLUUFI-LIONHTAISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45489; PubChem:CID6357416
|
Local ready
Direct docking supported
|