| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001741
BDB001741
|
BDBM33431
COc1ccc(C(=O)n2nc(-c3ccc(Cl)cc3)nc2N)cc1OC
|
C17H15ClN4O3 358.785000 |
HGMMYFQNXSPVTA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33431; PubChem:CID1084415
|
Local ready
Direct docking supported
|
|
E3L001742
BDB001742
|
BDBM33432
Cc1ccc(-c2nc(N)n(C(=O)Cc3ccccc3)n2)cc1
|
C17H16N4O 292.342000 |
RLMDHZHCYICOEW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33432; PubChem:CID974955
|
Local ready
Direct docking supported
|
|
E3L001743
BDB001743
|
BDBM33433
Cc1onc(-c2ccccc2)c1C(=O)n1nnc2ccccc21
|
C17H12N4O2 304.309000 |
XWEWIQCAIBLPHV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33433; PubChem:CID1121978
|
Local ready
Direct docking supported
|
|
E3L001744
BDB001744
|
1-(2-methyl-3-furoyl)-1H-1,2,3-benzotriazole
Cc1occc1C(=O)n1nnc2ccccc21
|
C12H9N3O2 227.223000 |
DTUKMQFBFZXVKB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33434; PubChem:CID898637
|
Local ready
Direct docking supported
|
|
E3L001745
BDB001745
|
BDBM33435
COc1ccccc1C(=O)n1nc(-c2ccc(Cl)cc2)nc1N
|
C16H13ClN4O2 328.759000 |
DBMRKGDJNJUXND-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33435; PubChem:CID975143
|
Local ready
Direct docking supported
|
|
E3L001746
BDB001746
|
BDBM33436
COc1ccccc1C(=O)n1nc(-c2ccco2)nc1N
|
C14H12N4O3 284.275000 |
BGOHEHPDIIPCBT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33436; PubChem:CID969710
|
Local ready
Direct docking supported
|
|
E3L001747
BDB001747
|
BDBM33437
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1OC
|
C17H16N4O3 324.340000 |
KJFHJZMOFADPOP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33437; PubChem:CID975107
|
Local ready
Direct docking supported
|
|
E3L001748
BDB001748
|
1-butyryl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CCCC(=O)n1nc(-c2ccc(OC)cc2)nc1N
|
C13H16N4O2 260.297000 |
UQEBKUFDCAZKBC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33438; PubChem:CID753275
|
Local ready
Direct docking supported
|
|
E3L001749
BDB001749
|
BDBM33439
Nc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1
|
C15H13N5O 279.303000 |
UQFXNLGTCOBRMQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33439; PubChem:CID971620
|
Local ready
Direct docking supported
|
|
E3L001750
BDB001750
|
3-phenyl-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine
Nc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1
|
C16H14N4O 278.315000 |
OWRFGLQQIWZWDX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33440; PubChem:CID969682
|
Local ready
Direct docking supported
|
|
E3L001751
BDB001751
|
1-(2-furoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
Nc1nc(-c2cccnc2)nn1C(=O)c1ccco1
|
C12H9N5O2 255.237000 |
LCKQEPFCQQJQSU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33441; PubChem:CID971909
|
Local ready
Direct docking supported
|
|
E3L001752
BDB001752
|
(4-Acetylphenyl) 5-bromofuran-2-carboxylate
CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1
|
C13H9BrO4 309.115000 |
ZVVXNPHGMGHCQU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33442; PubChem:CID786607
|
Local ready
Direct docking supported
|
|
E3L001753
BDB001753
|
BDBM33443
CCOC(=O)N1CCN(C/C(C)=C/c2ccccc2)CC1
|
C17H24N2O2 288.391000 |
VBKXUROPLKYGPJ-FYWRMAATSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33443; PubChem:CID782678
|
Local ready
Direct docking supported
|
|
E3L001754
BDB001754
|
BDBM33444
Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCCO
|
C17H17N3O4S 359.407000 |
GWFBHDILRDPPML-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33444; PubChem:CID1634592
|
Local ready
Direct docking supported
|
|
E3L001755
BDB001755
|
BDBM33445
COc1cc(OC)cc(C(=O)n2nc(C)cc2C)c1
|
C14H16N2O3 260.293000 |
WZKXIRZYCVLIHB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33445; PubChem:CID754128
|
Local ready
Direct docking supported
|
|
E3L001756
BDB001756
|
3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dione
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1
|
C14H13ClN2O3 292.722000 |
VQEIJJHEAFTVHY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33446; PubChem:CID720237
|
Local ready
Direct docking supported
|
|
E3L001757
BDB001757
|
BDBM33447
O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccco1
|
C17H12O5 296.278000 |
XPHAPQDWSYYERN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33447; PubChem:CID718321
|
Local ready
Direct docking supported
|
|
E3L001758
BDB001758
|
BDBM33448
Nc1nc(-c2ccco2)nn1C(=O)c1ccccc1
|
C13H10N4O2 254.249000 |
IGCDDPNPYAFVCA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33448; PubChem:CID828588
|
Local ready
Direct docking supported
|
|
E3L001759
BDB001759
|
BDBM33449
Cc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1
|
C14H12N4O2 268.276000 |
PGDFFQTZZYUSBF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33449; PubChem:CID828590
|
Local ready
Direct docking supported
|
|
E3L001760
BDB001760
|
BDBM33450
Nc1nc(-c2ccco2)nn1C(=O)c1ccc(Cl)cc1
|
C13H9ClN4O2 288.694000 |
PMYRDJAEGIUHCC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33450; PubChem:CID828591
|
Local ready
Direct docking supported
|