| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000641
BDB000641
|
6,7-Dichloroisatin
O=C1Nc2c(ccc(Cl)c2Cl)C1=O
|
C8H3Cl2NO2 216.023000 |
XTXIILHWOQZVAQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22834; PubChem:CID16786802
|
Local ready
Direct docking supported
|
|
E3L000642
BDB000642
|
4-Chloro-7-methyl isatin
Cc1ccc(Cl)c2c1NC(=O)C2=O
|
C9H6ClNO2 195.605000 |
MWCJCUFHPFXQLS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22835; PubChem:CID1810509
|
Local ready
Direct docking supported
|
|
E3L000643
BDB000643
|
5-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione
Cc1cc(Cl)cc2c1NC(=O)C2=O
|
C9H6ClNO2 195.605000 |
LDFQLYHDZZPAGN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22836; PubChem:CID366710
|
Local ready
Direct docking supported
|
|
E3L000644
BDB000644
|
6-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione
Cc1c(Cl)ccc2c1NC(=O)C2=O
|
C9H6ClNO2 195.605000 |
SFWRUGVSPIELCW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22837; PubChem:CID4513067
|
Local ready
Direct docking supported
|
|
E3L000645
BDB000645
|
6-bromo-5-methyl-1H-indole-2,3-dione
Cc1cc2c(cc1Br)NC(=O)C2=O
|
C9H6BrNO2 240.056000 |
DQZFCBOXZKQQPM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22838; PubChem:CID1718647
|
Local ready
Direct docking supported
|
|
E3L000646
BDB000646
|
1-Thiomorpholin-4-ylmethyl-1H-indole-2,3-dione
O=C1C(=O)N(CN2CCSCC2)c2ccccc21
|
C13H14N2O2S 262.334000 |
VUDXQUPHRIDGMU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22839; PubChem:CID3531512
|
Local ready
Direct docking supported
|
|
E3L000647
BDB000647
|
1-Piperidin-1-ylmethyl-1H-indole-2,3-dione
O=C1C(=O)N(CN2CCCCC2)c2ccccc21
|
C14H16N2O2 244.294000 |
SUNRAOPHWRLAPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22840; PubChem:CID262695
|
Local ready
Direct docking supported
|
|
E3L000648
BDB000648
|
1-Morpholin-4-ylmethyl-1H-indole-2,3-dione
O=C1C(=O)N(CN2CCOCC2)c2ccccc21
|
C13H14N2O3 246.266000 |
ZRUIMDMDIRQCKV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22841; PubChem:CID262696
|
Local ready
Direct docking supported
|
|
E3L000649
BDB000649
|
1-Dodecylindoline-2,3-dione
CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc21
|
C20H29NO2 315.457000 |
GQEQKTGRIPEAKW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22842; PubChem:CID1897797
|
Local ready
Direct docking supported
|
|
E3L000650
BDB000650
|
1-hexadecyl-1H-indole-2,3-dione
CCCCCCCCCCCCCCCCN1C(=O)C(=O)c2ccccc21
|
C24H37NO2 371.565000 |
JLUGWHXZCKLPBY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22843; PubChem:CID3772674
|
Local ready
Direct docking supported
|
|
E3L000651
BDB000651
|
BDBM22844
O=C1C(=O)N(CCN2C(=O)C(=O)c3ccccc32)c2ccccc21
|
C18H12N2O4 320.304000 |
ZICIZFBOAQLOTF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22844; PubChem:CID3114312
|
Local ready
Direct docking supported
|
|
E3L000652
BDB000652
|
BDBM22845
O=C1C(=O)N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc54)cc3)cc2)c2ccccc21
|
C31H22N2O4 486.527000 |
OGTUYARYUMRJAT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22845; PubChem:CID3821945
|
Local ready
Direct docking supported
|
|
E3L000653
BDB000653
|
1,2-Bis(2-methoxyphenyl)ethane-1,2-dione
COc1ccccc1C(=O)C(=O)c1ccccc1OC
|
C16H14O4 270.284000 |
PYDAJROJMZJKFS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22846; PubChem:CID222475
|
Local ready
Direct docking supported
|
|
E3L000654
BDB000654
|
1,2-Bis(4-ethoxyphenyl)ethane-1,2-dione
CCOc1ccc(C(=O)C(=O)c2ccc(OCC)cc2)cc1
|
C18H18O4 298.338000 |
MINRQLDDFIBLCI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22847; PubChem:CID4369935
|
Local ready
Direct docking supported
|
|
E3L000655
BDB000655
|
1,2-Bis(4-nitrophenyl)ethane-1,2-dione
O=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
|
C14H8N2O6 300.226000 |
YRKNWVLBLGRGRK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22848; PubChem:CID1812008
|
Local ready
Direct docking supported
|
|
E3L000656
BDB000656
|
1,2-Bis(2,4,6-trimethylphenyl)ethane-1,2-dione
Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1
|
C20H22O2 294.394000 |
WCDCASRNSNBIFI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22849; PubChem:CID1972026
|
Local ready
Direct docking supported
|
|
E3L000657
BDB000657
|
Ethanedione, dicyclohexyl-
O=C(C(=O)C1CCCCC1)C1CCCCC1
|
C14H22O2 222.328000 |
ZWDFMOMBVDVEHE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22850; PubChem:CID11806279
|
Local ready
Direct docking supported
|
|
E3L000658
BDB000658
|
1,2-Naphthoquinone
O=C1C=Cc2ccccc2C1=O
|
C10H6O2 158.156000 |
KETQAJRQOHHATG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22851; PubChem:CID10667
|
Local ready
Direct docking supported
|
|
E3L000659
BDB000659
|
1,2-Indandione
O=C1Cc2ccccc2C1=O
|
C9H6O2 146.145000 |
WFFZGYRTVIPBFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22852; PubChem:CID123358
|
Local ready
Direct docking supported
|
|
E3L000660
BDB000660
|
Acenaphthenequinone
O=C1C(=O)c2cccc3cccc1c23
|
C12H6O2 182.178000 |
AFPRJLBZLPBTPZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22853; PubChem:CID6724
|
Local ready
Direct docking supported
|