| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002501
BDB002501
|
3-(dimethylamino)-2-hydroximino-N-(p-tolyl)propionamide
Cc1ccc(NC(=O)C(CN(C)C)N=O)cc1
|
C12H17N3O2 235.287000 |
FGQPOJWCIMHHIJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45370; PubChem:CID91896655
|
Local ready
Direct docking supported
|
|
E3L002502
BDB002502
|
BDBM45371
Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1
|
C20H19N5O3S3 473.605000 |
PWONHYLJDVKAEF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45371; PubChem:CID3240555
|
Local ready
Direct docking supported
|
|
E3L002503
BDB002503
|
BDBM45372
O=C(CSC1=NCCS1)Nc1nc2c(s1)CCCC2
|
C12H15N3OS3 313.473000 |
HDKYENRYTVXCNE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45372; PubChem:CID3240725
|
Local ready
Direct docking supported
|
|
E3L002504
BDB002504
|
2-[(1-Adamantylacetyl)amino]-3-methylbutanoic acid
CC(C)C(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O
|
C17H27NO3 293.407000 |
PEOFRASVOPVXDK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45373; PubChem:CID3241135
|
Local ready
Direct docking supported
|
|
E3L002505
BDB002505
|
BDBM45374
O=C(NCCN1CCc2ccccc2C1)C1CC(=O)N(C2CCCC2)C1
|
C21H29N3O2 355.482000 |
PONUMWZQSDCKKP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45374; PubChem:CID3241136
|
Local ready
Direct docking supported
|
|
E3L002506
BDB002506
|
1-[4-(Azepane-1-carbonyl)phenyl]pyrrolidin-2-one
O=C(c1ccc(N2CCCC2=O)cc1)N1CCCCCC1
|
C17H22N2O2 286.375000 |
QSRLSFVKIVMJAJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45375; PubChem:CID3241410
|
Local ready
Direct docking supported
|
|
E3L002507
BDB002507
|
BDBM45376
COc1ccc(C2=CSC3=NCCN23)cc1F
|
C12H11FN2OS 250.298000 |
GVOXLTHOISSAGB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45376; PubChem:CID685381
|
Local ready
Direct docking supported
|
|
E3L002508
BDB002508
|
BDBM45377
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1
|
C19H20N4O5S 416.459000 |
ATCQUPCNWOZYRD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45377; PubChem:CID2155638
|
Local ready
Direct docking supported
|
|
E3L002509
BDB002509
|
BDBM45378
COc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2C)cc1Br
|
C18H16BrNO4 390.233000 |
BMPCFTVFJUUIBJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45378; PubChem:CID3244052
|
Local ready
Direct docking supported
|
|
E3L002510
BDB002510
|
BDBM45379
O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)N1CCCc2ccccc21
|
C22H18ClN5O2S 451.939000 |
SMRHLNJJUWZCFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45379; PubChem:CID135428327
|
Local ready
Direct docking supported
|
|
E3L002511
BDB002511
|
BDBM45380
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)C)ccc3O)CC2)cc1
|
C21H28N2O3S 388.533000 |
IYJLDWAHRRCHFK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45380; PubChem:CID1040497
|
Local ready
Direct docking supported
|
|
E3L002512
BDB002512
|
BDBM45381
COc1ccc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)cc1OC
|
C19H20N2O4 340.379000 |
UOLVMVHBQGMZDW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45381; PubChem:CID3245417
|
Local ready
Direct docking supported
|
|
E3L002513
BDB002513
|
BDBM45382
COC(=O)c1ccc(Nc2nc(C)cc(=O)[nH]2)cc1
|
C13H13N3O3 259.265000 |
UTNSVGAYDHWYON-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45382; PubChem:CID135485462
|
Local ready
Direct docking supported
|
|
E3L002514
BDB002514
|
BDBM45383
CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12
|
C15H13N3O2S2 331.422000 |
CVIUMGCPNZDTIU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45383; PubChem:CID2943305
|
Local ready
Direct docking supported
|
|
E3L002515
BDB002515
|
BDBM45384
N#Cc1cnn(Cc2ccc(Cl)cc2)c1N
|
C11H9ClN4 232.674000 |
VPYBXOQUUAZRKG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45384; PubChem:CID815333
|
Local ready
Direct docking supported
|
|
E3L002516
BDB002516
|
BDBM45385
C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1
|
C18H19FN2O4S 378.425000 |
FTKFYLWDLXFAOQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45385; PubChem:CID2224487
|
Local ready
Direct docking supported
|
|
E3L002517
BDB002517
|
BDBM45386
N#Cc1c2n(c3c(=O)n(Cc4ccccc4)cnc13)CCCC2
|
C18H16N4O 304.353000 |
RPYXBCYDZWSQKJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45386; PubChem:CID755498
|
Local ready
Direct docking supported
|
|
E3L002518
BDB002518
|
2-[[2-(3,4-Dimethylanilino)-2-oxoethyl]thio]acetamide
Cc1ccc(NC(=O)CSCC(N)=O)cc1C
|
C12H16N2O2S 252.339000 |
AKHAZTNCFSWKCN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45387; PubChem:CID1249855
|
Local ready
Direct docking supported
|
|
E3L002519
BDB002519
|
BDBM45388
Cc1cnn(C(=S)NCc2ccc(Cl)cc2)c1
|
C12H12ClN3S 265.769000 |
ZUJCUEIOIFKOOY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45388; PubChem:CID970944
|
Local ready
Direct docking supported
|
|
E3L002520
BDB002520
|
2-ethoxy-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
CCOCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
|
C14H16N4O4S 336.373000 |
LDYNYSLUFIZKOC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45389; PubChem:CID2163156
|
Local ready
Direct docking supported
|