| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002461
BDB002461
|
BDBM45330
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1
|
C23H21N5O2 399.454000 |
PHRBMNCELVGVCC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45330; PubChem:CID663690
|
Local ready
Direct docking supported
|
|
E3L002462
BDB002462
|
BDBM45331
CCC(C)[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)OC
|
C16H22N2O4 306.362000 |
MOBYMHLXDFGHEO-SBNLOKMTSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45331; PubChem:CID664498
|
Local ready
Direct docking supported
|
|
E3L002463
BDB002463
|
BDBM45332
CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(CC)cc1
|
C17H22N2O3S2 366.508000 |
OSYCDDDZJMNXHL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45332; PubChem:CID664826
|
Local ready
Direct docking supported
|
|
E3L002464
BDB002464
|
BDBM45333
CCCc1nc2n[nH]c(N)c2c2c1CCC2
|
C12H16N4 216.288000 |
YWIMPGSKZAOEPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45333; PubChem:CID664932
|
Local ready
Direct docking supported
|
|
E3L002465
BDB002465
|
BDBM45334
O=C1c2oc3ccccc3c(=O)c2C(c2cccc(F)c2)N1CCCO
|
C20H16FNO4 353.349000 |
PFKSXQGOWYXOQW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45334; PubChem:CID665442
|
Local ready
Direct docking supported
|
|
E3L002466
BDB002466
|
BDBM45335
O=c1c2[nH]c3cccc(Cl)c3c2ncn1CCN1CCCCC1
|
C17H19ClN4O 330.819000 |
KWCXMEVQZVHDRD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45335; PubChem:CID665501
|
Local ready
Direct docking supported
|
|
E3L002467
BDB002467
|
BDBM45336
CCOC(=O)C1C(=N)Oc2c(c(=O)oc3ccccc23)C12C(=O)N(C)c1ccccc12
|
C23H18N2O6 418.405000 |
AGUHMFDEKANFTP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45336; PubChem:CID91896651
|
Local ready
Direct docking supported
|
|
E3L002468
BDB002468
|
BDBM45337
COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1
|
C24H23ClN4O4S 498.992000 |
WDMJXGQJRZEAAS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45337; PubChem:CID666557
|
Local ready
Direct docking supported
|
|
E3L002469
BDB002469
|
BDBM45338
Cc1cc2c(c(=O)n1C)C(Cc1ccccc1)C(C#N)C(=N)O2
|
C18H17N3O2 307.353000 |
KKFAPPYMNCKPCL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45338; PubChem:CID91896652
|
Local ready
Direct docking supported
|
|
E3L002470
BDB002470
|
BDBM45339
COC(=O)Cc1c(C)nc2nc[nH]n2c1=O
|
C9H10N4O3 222.204000 |
LBNHIJDKQAZILS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45339; PubChem:CID666837
|
Local ready
Direct docking supported
|
|
E3L002471
BDB002471
|
BDBM45340
Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccccc2F)n(C)c1=O
|
C24H24FN5O2 433.487000 |
QHWAJLZAGSQOEF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45340; PubChem:CID666849
|
Local ready
Direct docking supported
|
|
E3L002472
BDB002472
|
BDBM45341
O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc(F)cc1
|
C22H18FN3O3S 423.469000 |
LZGGMIYLNQXAPB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45341; PubChem:CID667293
|
Local ready
Direct docking supported
|
|
E3L002473
BDB002473
|
BDBM45342
COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12
|
C19H19N3O5S2 433.511000 |
FZNKDVDFHGPRQZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45342; PubChem:CID1548582
|
Local ready
Direct docking supported
|
|
E3L002474
BDB002474
|
BDBM45343
CC1(C)C2CC=C(C=Nn3cnnc3)C1C2
|
C12H16N4 216.288000 |
XXGDBFBBQLDWKK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45343; PubChem:CID2998143
|
Local ready
Direct docking supported
|
|
E3L002475
BDB002475
|
BDBM45344
COc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)CC1
|
C24H24N4O2S 432.549000 |
CLASRALGMQXCAR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45344; PubChem:CID91896653
|
Local ready
Direct docking supported
|
|
E3L002476
BDB002476
|
2,3-Di(2-furyl)quinoxaline
c1coc(-c2nc3ccccc3nc2-c2ccco2)c1
|
C16H10N2O2 262.268000 |
GMUROSQCXMKHEN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45345; PubChem:CID236275
|
Local ready
Direct docking supported
|
|
E3L002477
BDB002477
|
BDBM45346
COCc1c(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)oc2ccccc12
|
C22H21N5O4 419.441000 |
CEIVFGMMZTXJNB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45346; PubChem:CID2553426
|
Local ready
Direct docking supported
|
|
E3L002478
BDB002478
|
1-(Benzylideneimino)-2,4-dimethyl-5-cyano-6-pyridone
Cc1cc(C)n(N=Cc2ccccc2)c(=O)c1C#N
|
C15H13N3O 251.289000 |
YTODHHLHESCNOI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45347; PubChem:CID268105
|
Local ready
Direct docking supported
|
|
E3L002479
BDB002479
|
BDBM45348
O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1
|
C19H15N5O2S 377.429000 |
PFKUVAMJQBTZPQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45348; PubChem:CID2422597
|
Local ready
Direct docking supported
|
|
E3L002480
BDB002480
|
BDBM45349
CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
|
C21H25N3O7S 463.512000 |
DZVXRWNHDDUKKP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45349; PubChem:CID2999280
|
Local ready
Direct docking supported
|