| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002861
BDB002861
|
BDBM45731
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)CC)C3)c1
|
C20H24N4O4 384.436000 |
YTDDFCANVWCPRB-QRIPLOBPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45731; PubChem:CID16745481
|
Local ready
Direct docking supported
|
|
E3L002862
BDB002862
|
2-chloro-N'-(2,5-dichlorophenyl)-6-fluorobenzohydrazide
O=C(NNc1cc(Cl)ccc1Cl)c1c(F)cccc1Cl
|
C13H8Cl3FN2O 333.577000 |
MSRYJJRXVYYSKE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45732; PubChem:CID2810933
|
Local ready
Direct docking supported
|
|
E3L002863
BDB002863
|
BDBM45733
O=C(NCc1ccco1)c1ccc2c(c1)CCO2
|
C14H13NO3 243.262000 |
XNWAMFICMGJADL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45733; PubChem:CID2810990
|
Local ready
Direct docking supported
|
|
E3L002864
BDB002864
|
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
Cc1ccc(C(=O)NCCN2CCNC2=O)cc1
|
C13H17N3O2 247.298000 |
ONFCNHRVFSKUIR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45734; PubChem:CID2810721
|
Local ready
Direct docking supported
|
|
E3L002865
BDB002865
|
BDBM45735
Cc1ccc(S(=O)(=O)CCN2C=CC(C(F)(F)F)=NCC2)cc1
|
C15H17F3N2O2S 346.374000 |
CKOJKUOVUDKDDH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45735; PubChem:CID2810704
|
Local ready
Direct docking supported
|
|
E3L002866
BDB002866
|
BDBM45736
Cc1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cnn1-c1ccc(Cl)cc1
|
C23H20ClN3OS 421.953000 |
ZNQUQWGFIOFWNM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45736; PubChem:CID2810624
|
Local ready
Direct docking supported
|
|
E3L002867
BDB002867
|
BDBM45737
O=C(O)CC1(CC(=O)NCc2ccncc2)CCCCC1
|
C16H22N2O3 290.363000 |
WEPDJJVYPSJSOS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45737; PubChem:CID2738272
|
Local ready
Direct docking supported
|
|
E3L002868
BDB002868
|
BDBM45738
Cc1onc(-c2c(F)cccc2Cl)c1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
|
C19H10ClF4N3O2 423.753000 |
OAKGFSAPWOUFRC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45738; PubChem:CID2814981
|
Local ready
Direct docking supported
|
|
E3L002869
BDB002869
|
1-[2-(1H-pyrrol-1-yl)phenyl]piperidine
c1ccc(-n2cccc2)c(N2CCCCC2)c1
|
C15H18N2 226.323000 |
CHQZRMQJHWTVIQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45739; PubChem:CID2814657
|
Local ready
Direct docking supported
|
|
E3L002870
BDB002870
|
BDBM45740
COc1cccc2sc(N=CN(C)C)nc12
|
C11H13N3OS 235.312000 |
YNTJTPGXKRNCHF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45740
|
Local ready
Direct docking supported
|
|
E3L002871
BDB002871
|
BDBM45741
CN(NC1OC(=O)c2ccccc21)c1ncc(Cl)cc1C(F)(F)F
|
C15H11ClF3N3O2 357.719000 |
SVKWQENPNZQJRS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45741; PubChem:CID2739691
|
Local ready
Direct docking supported
|
|
E3L002872
BDB002872
|
BDBM45742
CC(C)(C)C(=O)N1N=C(Nc2ccccc2)SC1(C)C
|
C15H21N3OS 291.420000 |
OICNYDIYRIZPPR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45742; PubChem:CID135495807
|
Local ready
Direct docking supported
|
|
E3L002873
BDB002873
|
8-methyl-4H-pyrimido[2,1-d][1,3,5]oxathiazin-6-one
Cc1cc(=O)n2c(n1)SCOC2
|
C7H8N2O2S 184.220000 |
YCQNUDLIFJZIKT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45743; PubChem:CID2732927
|
Local ready
Direct docking supported
|
|
E3L002874
BDB002874
|
BDBM45744
CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1
|
C19H24ClN3O2S 393.940000 |
SZXYLQCFPUYUFG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45744; PubChem:CID2738598
|
Local ready
Direct docking supported
|
|
E3L002875
BDB002875
|
BDBM45745
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cn2)cc1
|
C20H24N2O4 356.422000 |
RGQLCMDSTXSTHF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45745; PubChem:CID2814284
|
Local ready
Direct docking supported
|
|
E3L002876
BDB002876
|
N-phenyl-4-(thiadiazol-4-yl)benzenesulfonamide
O=S(=O)(Nc1ccccc1)c1ccc(-c2csnn2)cc1
|
C14H11N3O2S2 317.395000 |
UDPHMTKYLQXQSV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45746; PubChem:CID2814333
|
Local ready
Direct docking supported
|
|
E3L002877
BDB002877
|
BDBM45747
NS(=O)(=O)c1ccc(NNC(=O)c2sccc2Cl)cc1
|
C11H10ClN3O3S2 331.806000 |
FXEHYORUAWPJNZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45747; PubChem:CID2811807
|
Local ready
Direct docking supported
|
|
E3L002878
BDB002878
|
BDBM45748
COC(C[C@H](O)C[C@@H](O)[C@H](C)OCc1ccccc1)OC
|
C16H26O5 298.379000 |
WFBQEQDZCXOJBE-NWANDNLSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45748; PubChem:CID16745976
|
Local ready
Direct docking supported
|
|
E3L002879
BDB002879
|
BDBM46189
COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
|
C20H18N4O4 378.388000 |
KKWJOTGFSWWYJO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM46189; PubChem:CID3157647
|
Local ready
Direct docking supported
|
|
E3L002880
BDB002880
|
BDBM46224
CCc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c(OCC(=O)O)c(OC)c3)S2)cc1
|
C21H19BrN2O5S 491.363000 |
ILBKHLJIVOZMET-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM46224; PubChem:CID135459634
|
Local ready
Direct docking supported
|