| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000541
BDB000541
|
1,2-Bis(3,5-difluorophenyl)ethane-1,2-dione
O=C(C(=O)c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
|
C14H6F4O2 282.192000 |
ZDXXQKFXZDPNLI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22734; PubChem:CID11437501
|
Local ready
Direct docking supported
|
|
E3L000542
BDB000542
|
1,2-Bis(3,4,5-trifluorophenyl)ethane-1,2-dione
O=C(C(=O)c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1
|
C14H4F6O2 318.172000 |
FMFHXBPXDZLEKC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22735; PubChem:CID11392969
|
Local ready
Direct docking supported
|
|
E3L000543
BDB000543
|
4-(2-Oxo-2-phenylacetyl)benzoic acid
O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1
|
C15H10O4 254.241000 |
MWJHDSAAGSURCA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22736; PubChem:CID2385968
|
Local ready
Direct docking supported
|
|
E3L000544
BDB000544
|
1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione
O=C(C(=O)c1ccc(Cl)cc1)c1ccccc1
|
C14H9ClO2 244.677000 |
QDCKVAZDINMMHO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22737; PubChem:CID89801
|
Local ready
Direct docking supported
|
|
E3L000545
BDB000545
|
1-(4-Chlorophenyl)-2-(4-methylphenyl)ethane-1,2-dione
Cc1ccc(C(=O)C(=O)c2ccc(Cl)cc2)cc1
|
C15H11ClO2 258.704000 |
FKOYORNUXJRIQT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22738; PubChem:CID2777298
|
Local ready
Direct docking supported
|
|
E3L000546
BDB000546
|
p-Methylbenzil
Cc1ccc(C(=O)C(=O)c2ccccc2)cc1
|
C15H12O2 224.259000 |
QKFICTUTRIMBEX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22739; PubChem:CID75511
|
Local ready
Direct docking supported
|
|
E3L000547
BDB000547
|
1,2-Bis(4-methylphenyl)-1,2-ethanedione
Cc1ccc(C(=O)C(=O)c2ccc(C)cc2)cc1
|
C16H14O2 238.286000 |
BCWCEHMHCDCJAD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22740; PubChem:CID76996
|
Local ready
Direct docking supported
|
|
E3L000548
BDB000548
|
1-(3,4-Dimethyl-phenyl)-2-phenyl-ethane-1,2-dione
Cc1ccc(C(=O)C(=O)c2ccccc2)cc1C
|
C16H14O2 238.286000 |
UJARQLWFLLIFBN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22741; PubChem:CID2427416
|
Local ready
Direct docking supported
|
|
E3L000549
BDB000549
|
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
COc1ccc(C(=O)C(=O)c2ccccc2)cc1
|
C15H12O3 240.258000 |
NTINAJCDYRYMML-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22742; PubChem:CID31494
|
Local ready
Direct docking supported
|
|
E3L000550
BDB000550
|
4,4'-Dimethoxybenzil
COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1
|
C16H14O4 270.284000 |
YNANGXWUZWWFKX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22743; PubChem:CID71043
|
Local ready
Direct docking supported
|
|
E3L000551
BDB000551
|
1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
COc1cccc(C(=O)C(=O)c2cccc(OC)c2)c1
|
C16H14O4 270.284000 |
PJGXOGKIVAJFTE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22744; PubChem:CID123493
|
Local ready
Direct docking supported
|
|
E3L000552
BDB000552
|
BDBM22745
COc1ccc(C(=O)C(=O)c2ccccc2Cl)cc1OC
|
C16H13ClO4 304.729000 |
ULVSCSFZMZRZHJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22745; PubChem:CID92036
|
Local ready
Direct docking supported
|
|
E3L000553
BDB000553
|
4-(Bromomethyl)benzil
O=C(C(=O)c1ccc(CBr)cc1)c1ccccc1
|
C15H11BrO2 303.155000 |
QELAVTMDKHSMOP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22746; PubChem:CID87502
|
Local ready
Direct docking supported
|
|
E3L000554
BDB000554
|
1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione
O=C(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1
|
C14H6Br2N2O6 458.018000 |
UGAZCYYFCSPXSO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22747; PubChem:CID5038499
|
Local ready
Direct docking supported
|
|
E3L000555
BDB000555
|
1-(4-Methyl-3-nitro-phenyl)-2-phenyl-ethane-1,2-dione
Cc1ccc(C(=O)C(=O)c2ccccc2)cc1[N+](=O)[O-]
|
C15H11NO4 269.256000 |
JWRFKIOVIXSJAH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22748; PubChem:CID4384851
|
Local ready
Direct docking supported
|
|
E3L000556
BDB000556
|
4-Nitrobenzil
O=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
|
C14H9NO4 255.229000 |
GPDKREBNFFEDHW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22749; PubChem:CID283893
|
Local ready
Direct docking supported
|
|
E3L000557
BDB000557
|
1-(2,4-Dinitrophenyl)-2-phenylethane-1,2-dione
O=C(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
|
C14H8N2O6 300.226000 |
PEQXAMVWTHOPJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22750; PubChem:CID5004413
|
Local ready
Direct docking supported
|
|
E3L000558
BDB000558
|
1,2-Bis(3-nitrophenyl)-1,2-ethanedione
O=C(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
|
C14H8N2O6 300.226000 |
SGKVXDKTNJHBCA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22751; PubChem:CID101375
|
Local ready
Direct docking supported
|
|
E3L000559
BDB000559
|
4,4'-Dihydroxybenzil
O=C(C(=O)c1ccc(O)cc1)c1ccc(O)cc1
|
C14H10O4 242.230000 |
FMYXOBBPXQZKKY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22752; PubChem:CID458204
|
Local ready
Direct docking supported
|
|
E3L000560
BDB000560
|
1,2-Bis(5-bromo-2-hydroxyphenyl)-1,2-ethanedione
O=C(C(=O)c1cc(Br)ccc1O)c1cc(Br)ccc1O
|
C14H8Br2O4 400.022000 |
AAOYLOCWJSLLJU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22753; PubChem:CID10662
|
Local ready
Direct docking supported
|