| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060301
BDB060301
|
BDBM50548607
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(F)cc1
|
C14H10FN5O 283.266000 |
QKNUHBOQEJLPLK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548607; PubChem:CID162654445
|
Local ready
Direct docking supported
|
|
E3L060302
BDB060302
|
BDBM50548608
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(Br)cc1
|
C14H10BrN5O 344.172000 |
IHUNZLYUFXYPJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548608; PubChem:CID162664988
|
Local ready
Direct docking supported
|
|
E3L060303
BDB060303
|
BDBM50548609
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc([N+](=O)[O-])cc1
|
C14H10N6O3 310.273000 |
ADWWAHSUFXKJFI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548609; PubChem:CID162676536
|
Local ready
Direct docking supported
|
|
E3L060304
BDB060304
|
BDBM50548610
Nc1nc(-c2ccccn2)nn1C(=O)c1ccccc1[N+](=O)[O-]
|
C14H10N6O3 310.273000 |
FVLOLXLQZQVQOB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548610; PubChem:CID162660326
|
Local ready
Direct docking supported
|
|
E3L060305
BDB060305
|
BDBM50548611
Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(C(F)(F)F)cc1
|
C15H10F3N5O 333.273000 |
OTFGFYGXBRSCPI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548611; PubChem:CID162658409
|
Local ready
Direct docking supported
|
|
E3L060306
BDB060306
|
BDBM50548612
CCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
|
C16H15N5O 293.330000 |
WINMHXQNIIDEPT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548612; PubChem:CID162651731
|
Local ready
Direct docking supported
|
|
E3L060307
BDB060307
|
BDBM50548613
COc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1
|
C15H13N5O2 295.302000 |
NHXDITCQCUWVEW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548613; PubChem:CID162667499
|
Local ready
Direct docking supported
|
|
E3L060308
BDB060308
|
BDBM50548614
Cc1cccc(C(=O)n2nc(-c3ccccn3)nc2N)c1
|
C15H13N5O 279.303000 |
LGYDKGKNEZTQLV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548614; PubChem:CID162664502
|
Local ready
Direct docking supported
|
|
E3L060309
BDB060309
|
N-[5-(4-ethoxyanilino)-1H-1,2,4-triazol-3-yl]benzamide
CCOc1ccc(Nc2n[nH]c(NC(=O)c3ccccc3)n2)cc1
|
C17H17N5O2 323.356000 |
HPQVPAPOFNYTQJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548615; PubChem:CID162653608
|
Local ready
Direct docking supported
|
|
E3L060310
BDB060310
|
N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide
O=C(Nc1nc(Nc2ccccc2)n[nH]1)c1ccccc1
|
C15H13N5O 279.303000 |
JSXAZVPBIUDZNM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548616; PubChem:CID125464900
|
Local ready
Direct docking supported
|
|
E3L060311
BDB060311
|
BDBM50548617
O=C(Nc1nc(Nc2cccnc2)n[nH]1)c1ccccc1
|
C14H12N6O 280.291000 |
YEJRKPZDQGAWGS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548617; PubChem:CID162649194
|
Local ready
Direct docking supported
|
|
E3L060312
BDB060312
|
BDBM50548618
O=C(Nc1nc(-c2ccncc2)n[nH]1)C1CCCCC1
|
C14H17N5O 271.324000 |
FHNMKTHKWQBUHT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548618; PubChem:CID162655757
|
Local ready
Direct docking supported
|
|
E3L060313
BDB060313
|
BDBM50548619
O=C(Nc1nc(-c2ccccn2)n[nH]1)Oc1ccccc1
|
C14H11N5O2 281.275000 |
BZBCWWCAZDQFSC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548619; PubChem:CID162663380
|
Local ready
Direct docking supported
|
|
E3L060314
BDB060314
|
BDBM50548620
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccncc3)n[nH]2)cc1
|
C14H13N5O2S 315.358000 |
UEVIEGLUPJPGTQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548620; PubChem:CID162670399
|
Local ready
Direct docking supported
|
|
E3L060315
BDB060315
|
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccccc1
|
C14H11N5O 265.276000 |
BAQBCWWGOQNMJV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548621; PubChem:CID935059
|
Local ready
Direct docking supported
|
|
E3L060316
BDB060316
|
N-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)benzamide
O=C(Nc1nc(-c2cccnc2)n[nH]1)c1ccccc1
|
C14H11N5O 265.276000 |
JPJWLXDMTIOTSV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548622; PubChem:CID162675742
|
Local ready
Direct docking supported
|
|
E3L060317
BDB060317
|
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
Nc1n[nH]c(-c2ccncc2)n1
|
C7H7N5 161.168000 |
PHYOJNNPPUPKEA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548623; PubChem:CID199040
|
Local ready
Direct docking supported
|
|
E3L060318
BDB060318
|
5-(pyridin-2-yl)-4H-1,2,4-triazol-3-amine
Nc1n[nH]c(-c2ccccn2)n1
|
C7H7N5 161.168000 |
VPTQEOQBSABCKV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548624; PubChem:CID12011792
|
Local ready
Direct docking supported
|
|
E3L060319
BDB060319
|
5-Phenyl-4H-1,2,4-triazol-3-amine
Nc1n[nH]c(-c2ccccc2)n1
|
C8H8N4 160.180000 |
GHUDJFJZFUVPIQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50548625; PubChem:CID95778
|
Local ready
Direct docking supported
|
|
E3L060320
BDB060320
|
BDBM50548672
Nc1cc(F)cc2c(=O)[nH]c(CCCN3CCN(c4ccc(F)cc4)CC3)cc12
|
C22H24F2N4O 398.457000 |
ZCZXHBMPYFPNQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50548672; PubChem:CID126483589
|
Local ready
Direct docking supported
|