| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002741
BDB002741
|
BDBM45611
C=CCC1(CC=C)CCCN1C(=O)CC1C(=O)NCCN1Cc1cccc(OC)c1OC
|
C25H35N3O4 441.572000 |
DIYPYPPEYMSWQN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45611; PubChem:CID16189918
|
Local ready
Direct docking supported
|
|
E3L002742
BDB002742
|
BDBM45612
CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
|
C16H17N3O2S 315.398000 |
GOMXOOBWXAXNNW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45612; PubChem:CID889369
|
Local ready
Direct docking supported
|
|
E3L002743
BDB002743
|
BDBM45613
O=C(c1cccnc1)C1CCCN(Cc2nc(-c3cnccn3)no2)C1
|
C18H18N6O2 350.382000 |
XMJNODXSUVORNR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45613; PubChem:CID16190024
|
Local ready
Direct docking supported
|
|
E3L002744
BDB002744
|
BDBM45614
CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)Cn2cnnn2)CC1
|
C18H22FN5O3 375.404000 |
AUMOVYOKIBFUIL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45614; PubChem:CID16190336
|
Local ready
Direct docking supported
|
|
E3L002745
BDB002745
|
BDBM45615
CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)c1C
|
C19H20ClFN4O3 406.845000 |
NZGMCNNTJNEOHA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45615; PubChem:CID16190493
|
Local ready
Direct docking supported
|
|
E3L002746
BDB002746
|
BDBM45616
COc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1cnccn1
|
C20H25N5O3 383.452000 |
JONNTFLXBWNFIC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45616; PubChem:CID16190777
|
Local ready
Direct docking supported
|
|
E3L002747
BDB002747
|
BDBM45617
Cc1cc(CNC(=O)CC2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1
|
C25H28N4O3 432.524000 |
WNXLWPJFYKCXRM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45617; PubChem:CID16190888
|
Local ready
Direct docking supported
|
|
E3L002748
BDB002748
|
BDBM45618
CCCn1cc(CN2CCCC(C(=O)c3cccc(OC)c3)C2)c(C)n1
|
C21H29N3O2 355.482000 |
MYPHROJFUCQNJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45618; PubChem:CID16192145
|
Local ready
Direct docking supported
|
|
E3L002749
BDB002749
|
BDBM45619
Cc1ncc(CN2CCCC(C(=O)c3ccc(C(C)(C)C)cc3)C2)s1
|
C21H28N2OS 356.535000 |
GXHUYHUQMWFDKI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45619; PubChem:CID16192322
|
Local ready
Direct docking supported
|
|
E3L002750
BDB002750
|
2-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole
COc1cc(-c2nnco2)cc(OC)c1OC
|
C11H12N2O4 236.227000 |
GUSYHPMVEXGYSB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45620; PubChem:CID765546
|
Local ready
Direct docking supported
|
|
E3L002751
BDB002751
|
BDBM45621
COc1ccc(NC(NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1
|
C15H14Cl3N3O2 374.655000 |
RNAJHUVHXWGWQR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45621; PubChem:CID3092421
|
Local ready
Direct docking supported
|
|
E3L002752
BDB002752
|
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CNS(=O)(=O)c1cc(C(=O)O)ccc1OC
|
C9H11NO5S 245.256000 |
XKBCISMVWOJEGS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45622; PubChem:CID2492720
|
Local ready
Direct docking supported
|
|
E3L002753
BDB002753
|
BDBM45623
C#CCOc1nc(Nc2cccc([N+](=O)[O-])c2)nc(OCC#C)n1
|
C15H11N5O4 325.284000 |
ORRBRQWJGYYRRF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45623; PubChem:CID3112035
|
Local ready
Direct docking supported
|
|
E3L002754
BDB002754
|
3-nitro-N-4-pyridinylbenzenesulfonamide
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccncc2)c1
|
C11H9N3O4S 279.277000 |
OQXBTGJQDWQQBY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45624; PubChem:CID2886109
|
Local ready
Direct docking supported
|
|
E3L002755
BDB002755
|
BDBM45625
Cc1cccc(-n2c(=O)c3c4c(sc3n3c(=S)[nH]nc23)CCC4)c1
|
C17H14N4OS2 354.460000 |
NNFIWDIVJBUAPK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45625; PubChem:CID1306410
|
Local ready
Direct docking supported
|
|
E3L002756
BDB002756
|
BDBM45626
Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)no1
|
C17H14FN3O3S2 391.449000 |
WMUORKDYODWSLK-LCYFTJDESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45626; PubChem:CID2293496
|
Local ready
Direct docking supported
|
|
E3L002757
BDB002757
|
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
NC(=O)c1c(N)sc2c1CCC2
|
C8H10N2OS 182.248000 |
CIYGFKXNRTYHLB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45627; PubChem:CID596881
|
Local ready
Direct docking supported
|
|
E3L002758
BDB002758
|
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CN1CCN(c2ncnc(Cl)c2N)CC1
|
C9H14ClN5 227.699000 |
YFUZRBRRNUSCQO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45628; PubChem:CID1085197
|
Local ready
Direct docking supported
|
|
E3L002759
BDB002759
|
BDBM45629
CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2
|
C18H19NO5S 361.419000 |
FCUMDOBUJVHWIM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45629; PubChem:CID3220269
|
Local ready
Direct docking supported
|
|
E3L002760
BDB002760
|
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
Clc1ccccc1CN1CCN(CCCc2ccccc2)CC1
|
C20H25ClN2 328.887000 |
FBMFTEOUAOEHTL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45630; PubChem:CID742594
|
Local ready
Direct docking supported
|