| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000561
BDB000561
|
2,2',4,4'-Tetrahydroxybenzil
O=C(C(=O)c1ccc(O)cc1O)c1ccc(O)cc1O
|
C14H10O6 274.228000 |
NGWYJYHAFLMHNW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22754; PubChem:CID219592
|
Local ready
Direct docking supported
|
|
E3L000562
BDB000562
|
Ethanedione, bis(4-hydroxy-3-nitrophenyl)-
O=C(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1
|
C14H8N2O8 332.224000 |
FGSBLNUFHHXQKM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22755; PubChem:CID24825630
|
Local ready
Direct docking supported
|
|
E3L000563
BDB000563
|
1,2-Bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
COc1ccc(C(=O)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
|
C16H12N2O8 360.278000 |
QXCBKMMPXQYFNB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22756; PubChem:CID3126152
|
Local ready
Direct docking supported
|
|
E3L000564
BDB000564
|
1,2-Bis(4-(dimethylamino)phenyl)ethane-1,2-dione
CN(C)c1ccc(C(=O)C(=O)c2ccc(N(C)C)cc2)cc1
|
C18H20N2O2 296.370000 |
AVFUVYIDYFXFSX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22757; PubChem:CID222570
|
Local ready
Direct docking supported
|
|
E3L000565
BDB000565
|
1-(Perchlorophenyl)-2-(perfluorophenyl)ethane-1,2-dione
O=C(C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F
|
C14Cl5F5O2 472.407000 |
LPUHARRFIWFXIH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22758; PubChem:CID3527426
|
Local ready
Direct docking supported
|
|
E3L000566
BDB000566
|
1,4-Bis(phenylglyoxaloyl)benzene
O=C(C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccccc1
|
C22H14O4 342.350000 |
FUEGWHHUYNHBNI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22759; PubChem:CID137905
|
Local ready
Direct docking supported
|
|
E3L000567
BDB000567
|
4,4'-Dimethoxybenzoin
COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1
|
C16H16O4 272.300000 |
LRRQSCPPOIUNGX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22760; PubChem:CID95415
|
Local ready
Direct docking supported
|
|
E3L000568
BDB000568
|
BDBM22761
CN(C)c1ccc(C(=O)C(O)c2ccccc2)cc1
|
C16H17NO2 255.317000 |
SOLBSNQBVLAREX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22761; PubChem:CID95446
|
Local ready
Direct docking supported
|
|
E3L000569
BDB000569
|
4-Benzoylbenzoic acid
O=C(O)c1ccc(C(=O)c2ccccc2)cc1
|
C14H10O3 226.231000 |
IFQUPKAISSPFTE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22762; PubChem:CID69147
|
Local ready
Direct docking supported
|
|
E3L000570
BDB000570
|
1-Phenyl-1,4-pentanedione
CC(=O)CCC(=O)c1ccccc1
|
C11H12O2 176.215000 |
RBLXWIPBPPVLPU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22763; PubChem:CID136371
|
Local ready
Direct docking supported
|
|
E3L000571
BDB000571
|
2,2-Dimethoxy-2-phenylacetophenone
COC(OC)(C(=O)c1ccccc1)c1ccccc1
|
C16H16O3 256.301000 |
KWVGIHKZDCUPEU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22764; PubChem:CID90571
|
Local ready
Direct docking supported
|
|
E3L000572
BDB000572
|
2,3-Pentanedione
CCC(=O)C(C)=O
|
C5H8O2 100.117000 |
TZMFJUDUGYTVRY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22765; PubChem:CID11747
|
Local ready
Direct docking supported
|
|
E3L000573
BDB000573
|
Acetylacetone
CC(=O)CC(C)=O
|
C5H8O2 100.117000 |
YRKCREAYFQTBPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22766; PubChem:CID31261
|
Local ready
Direct docking supported
|
|
E3L000574
BDB000574
|
3-Methyl-1,2-cyclopentanedione
CC1CCC(=O)C1=O
|
C6H8O2 112.128000 |
OACYKCIZDVVNJL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22767; PubChem:CID61209
|
Local ready
Direct docking supported
|
|
E3L000575
BDB000575
|
2-Methyl-1,3-cyclopentanedione
CC1C(=O)CCC1=O
|
C6H8O2 112.128000 |
HXZILEQYFQYQCE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22768; PubChem:CID13005
|
Local ready
Direct docking supported
|
|
E3L000576
BDB000576
|
2,3-Heptanedione
CCCCC(=O)C(C)=O
|
C7H12O2 128.171000 |
FJPGAMCQJNLTJC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22769; PubChem:CID60983
|
Local ready
Direct docking supported
|
|
E3L000577
BDB000577
|
1,3-Cyclohexanedione
O=C1CCCC(=O)C1
|
C6H8O2 112.128000 |
HJSLFCCWAKVHIW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22770; PubChem:CID10434
|
Local ready
Direct docking supported
|
|
E3L000578
BDB000578
|
1-Methyl-2,3-cyclohexadione
CC1CCCC(=O)C1=O
|
C7H10O2 126.155000 |
JDXJKLGWPNXSHL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22771; PubChem:CID3321360
|
Local ready
Direct docking supported
|
|
E3L000579
BDB000579
|
2-Methyl-1,3-cyclohexanedione
CC1C(=O)CCCC1=O
|
C7H10O2 126.155000 |
VSGJHHIAMHUZKF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22772; PubChem:CID70945
|
Local ready
Direct docking supported
|
|
E3L000580
BDB000580
|
3,5,5-Trimethyl-1,2-cyclohexanedione
CC1CC(C)(C)CC(=O)C1=O
|
C9H14O2 154.209000 |
WEUZZYGESXCTCU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22773; PubChem:CID93772
|
Local ready
Direct docking supported
|