| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001801
BDB001801
|
BDBM33678
NC(=O)C(=NOC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1
|
C16H10BrN3O4S 420.244000 |
KKFZRIDKMCABNX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33678
|
Local ready
Direct docking supported
|
|
E3L001802
BDB001802
|
BDBM33695
COC(=O)c1nnc(NC(=O)c2ccccc2Cl)[nH]1
|
C11H9ClN4O3 280.671000 |
HTNXZTLBVIXWCB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33695; PubChem:CID2314691
|
Local ready
Direct docking supported
|
|
E3L001803
BDB001803
|
BDBM33697
CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1
|
C14H16N4O3S 320.374000 |
CSZFJKLNCKEZQL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33697; PubChem:CID4271676
|
Local ready
Direct docking supported
|
|
E3L001804
BDB001804
|
2-(2-Nitrophenyl)-3,1-benzoxazin-4-one
O=c1oc(-c2ccccc2[N+](=O)[O-])nc2ccccc12
|
C14H8N2O4 268.228000 |
DWCFIKGNUJGZBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33703; PubChem:CID347675
|
Local ready
Direct docking supported
|
|
E3L001805
BDB001805
|
BDBM33716
CCOC(=O)CSc1nnc(NC(=O)c2ccccc2)[nH]1
|
C13H14N4O3S 306.347000 |
YFOBXIFGQIGNEC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33716; PubChem:CID3778136
|
Local ready
Direct docking supported
|
|
E3L001806
BDB001806
|
BDBM33762
CCc1nnc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1
|
C20H22N4O3S2 430.555000 |
HEZCJEAHEREQGI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33762; PubChem:CID2571426
|
Local ready
Direct docking supported
|
|
E3L001807
BDB001807
|
BDBM33781
Cc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)ccc1[N+](=O)[O-]
|
C15H16N4O4S 348.384000 |
CXWNPMAAFYADMS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33781; PubChem:CID2168190
|
Local ready
Direct docking supported
|
|
E3L001808
BDB001808
|
BDBM33783
CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccc(C)cc3)ccc21
|
C19H21N5OS 367.478000 |
KLMWVZZMXRKVEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33783; PubChem:CID2328617
|
Local ready
Direct docking supported
|
|
E3L001809
BDB001809
|
BDBM33825
Nc1nc(-c2cccnc2)nn1C(=O)c1ccccc1Cl
|
C14H10ClN5O 299.721000 |
UHIWVKZCJPLNNG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33825; PubChem:CID970713
|
Local ready
Direct docking supported
|
|
E3L001810
BDB001810
|
BDBM33843
Nc1nc(-c2cccnc2)nn1C(=O)c1ccc(F)cc1
|
C14H10FN5O 283.266000 |
FXRFMCDLHSKARY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33843; PubChem:CID972160
|
Local ready
Direct docking supported
|
|
E3L001811
BDB001811
|
BDBM33847
CN(Cc1ccccn1)Cc1nc(-c2ccc(Cl)cc2)no1
|
C16H15ClN4O 314.776000 |
JMTYXHDTVKJJJB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33847; PubChem:CID16190432
|
Local ready
Direct docking supported
|
|
E3L001812
BDB001812
|
BDBM33849
COC(c1ccccc1)c1nnc(CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)o1
|
C24H25N5O3 431.496000 |
NPUJEVDXNHQOFK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33849; PubChem:CID16191179
|
Local ready
Direct docking supported
|
|
E3L001813
BDB001813
|
BDBM33856
Nc1nc(-c2ccco2)nn1C(=O)c1ccccc1Cl
|
C13H9ClN4O2 288.694000 |
JARMYDUXNQNRAF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33856; PubChem:CID828593
|
Local ready
Direct docking supported
|
|
E3L001814
BDB001814
|
BDBM33857
COc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1OC
|
C15H14N4O4 314.301000 |
IBVNBVQKMBGFOA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33857; PubChem:CID969825
|
Local ready
Direct docking supported
|
|
E3L001815
BDB001815
|
N-(acetamidocarbamothioyl)benzamide
CC(=O)NNC(=S)NC(=O)c1ccccc1
|
C10H11N3O2S 237.284000 |
ISZGNMGBRFLINK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33859; PubChem:CID1728349
|
Local ready
Direct docking supported
|
|
E3L001816
BDB001816
|
BDBM33875
O=C(NN=Cc1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1
|
C17H13ClN4O2S 372.837000 |
UGCVCPZPXFXGRD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM33875
|
Local ready
Direct docking supported
|
|
E3L001817
BDB001817
|
BDBM33879
C=CCN(C(=O)Nc1ccc2c(c1)nc(C)n2C)c1ccccc1
|
C19H20N4O 320.396000 |
JQJPQKOORJUPQE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33879; PubChem:CID893311
|
Local ready
Direct docking supported
|
|
E3L001818
BDB001818
|
BDBM33882
Nc1nc(-c2cccnc2)nn1C(=O)c1ccc(Cl)cc1
|
C14H10ClN5O 299.721000 |
ZAFULIRXGRRKIP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33882; PubChem:CID5000438
|
Local ready
Direct docking supported
|
|
E3L001819
BDB001819
|
1-(Cycloheptylideneamino)-3-(2-methoxyethyl)thiourea
COCCNC(=S)NN=C1CCCCCC1
|
C11H21N3OS 243.376000 |
HUNRLTPXXMDYGU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33891; PubChem:CID4175604
|
Local ready
Direct docking supported
|
|
E3L001820
BDB001820
|
BDBM33896
COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1
|
C11H9FN4O3 264.216000 |
CYAQTWKBNHAHHY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM33896; PubChem:CID2317506
|
Local ready
Direct docking supported
|