| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002681
BDB002681
|
BDBM45551
O=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1
|
C17H17N3O3 311.341000 |
CCXFSXLVJZMUKL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45551
|
Local ready
Direct docking supported
|
|
E3L002682
BDB002682
|
N-(1,3-dioxoisoindol-2-yl)-2-(2-methoxyphenyl)acetamide
COc1ccccc1CC(=O)NN1C(=O)c2ccccc2C1=O
|
C17H14N2O4 310.309000 |
VEAULGRPFRBHNM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45552; PubChem:CID882882
|
Local ready
Direct docking supported
|
|
E3L002683
BDB002683
|
BDBM45553
COc1cc(C(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc(OC)c1OC
|
C18H19NO6 345.351000 |
DTVHIFQMJDOHJN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45553; PubChem:CID747951
|
Local ready
Direct docking supported
|
|
E3L002684
BDB002684
|
BDBM45554
COc1cccc(NC(C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)c1
|
C23H22N2O3 374.440000 |
FDBSXCIQRBGVFP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45554; PubChem:CID4880588
|
Local ready
Direct docking supported
|
|
E3L002685
BDB002685
|
BDBM45555
COc1ccc(C2=[N+](C)CCn3cccc32)c(OC)c1
|
C16H19N2O2+ 271.340000 |
OJONFUYEVNZGMS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45555; PubChem:CID852097
|
Local ready
Direct docking supported
|
|
E3L002686
BDB002686
|
BDBM45556
O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2F)CC1
|
C22H25FN2O3S 416.518000 |
TYBDRNAYLXTZMN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45556; PubChem:CID4877735
|
Local ready
Direct docking supported
|
|
E3L002687
BDB002687
|
BDBM45557
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccn2)cc1
|
C17H12N2O4 308.293000 |
INJPSDSANLQOJT-JLHYYAGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45557; PubChem:CID2312307
|
Local ready
Direct docking supported
|
|
E3L002688
BDB002688
|
BDBM45558
CCN(CC)c1ccc([CH+][N-]NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
|
C17H20N4O4S 376.438000 |
VXXSSODKNLNCPH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45558
|
Local ready
Direct docking supported
|
|
E3L002689
BDB002689
|
BDBM45559
O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1ccc(F)cc1
|
C23H18FN3O 371.415000 |
HJOPLGGNGKLDRP-XNTDXEJSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45559; PubChem:CID6156105
|
Local ready
Direct docking supported
|
|
E3L002690
BDB002690
|
BDBM45560
c1ccc(-c2csc3ncnc(NCC4COc5ccccc5O4)c23)cc1
|
C21H17N3O2S 375.453000 |
MPKXYNWKQLMDJS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45560; PubChem:CID5115067
|
Local ready
Direct docking supported
|
|
E3L002691
BDB002691
|
BDBM45561
Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccc(F)cc1
|
C21H19FN4OS 394.475000 |
RCBSDKHPNVVQHC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45561; PubChem:CID2457362
|
Local ready
Direct docking supported
|
|
E3L002692
BDB002692
|
BDBM45562
COc1ccc(-c2cc(-c3nnc(COC(=O)CC4CC5CCC4C5)o3)c3ccccc3n2)cc1OC
|
C29H29N3O5 499.567000 |
KQTYYQBJGBDVQQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45562; PubChem:CID3938083
|
Local ready
Direct docking supported
|
|
E3L002693
BDB002693
|
1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
Nc1ccnn1Cc1cccs1
|
C8H9N3S 179.248000 |
KFEVMOCBDLBBKX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45563; PubChem:CID2517659
|
Local ready
Direct docking supported
|
|
E3L002694
BDB002694
|
BDBM45564
O=C(OCC(=O)c1ccc(Cl)s1)c1ccc2ccccc2n1
|
C16H10ClNO3S 331.780000 |
NAPVNPJPRRIBFO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45564; PubChem:CID2430272
|
Local ready
Direct docking supported
|
|
E3L002695
BDB002695
|
BDBM45565
O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(Cl)nc1
|
C17H15ClN2O3 330.771000 |
WISNRRLEHMNMAI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45565; PubChem:CID2430446
|
Local ready
Direct docking supported
|
|
E3L002696
BDB002696
|
N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide
Cc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1
|
C21H21NOS 335.472000 |
MCIHVKKJUYXUEM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45566; PubChem:CID2530538
|
Local ready
Direct docking supported
|
|
E3L002697
BDB002697
|
BDBM45567
CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1
|
C17H16ClN5OS 373.869000 |
GBPLLRCHQOCRHT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45567; PubChem:CID2618297
|
Local ready
Direct docking supported
|
|
E3L002698
BDB002698
|
BDBM45568
COc1ccc(-c2nc(N)n(C(=O)c3ccccc3Cl)n2)cc1
|
C16H13ClN4O2 328.759000 |
QTWBBGDOWWLJBD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45568; PubChem:CID753286
|
Local ready
Direct docking supported
|
|
E3L002699
BDB002699
|
BDBM45569
COc1ccc(-c2nc(N)n(C(=O)c3ccc(C)cc3)n2)cc1
|
C17H16N4O2 308.341000 |
JZSJTYKKZURFRW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45569; PubChem:CID753282
|
Local ready
Direct docking supported
|
|
E3L002700
BDB002700
|
4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl benzoate
O=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1
|
C15H10N2O3 266.256000 |
PEBIBWVFVFOZCA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45570; PubChem:CID824989
|
Local ready
Direct docking supported
|