| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000621
BDB000621
|
5-Bromoisatin
O=C1Nc2ccc(Br)cc2C1=O
|
C8H4BrNO2 226.029000 |
MBVCESWADCIXJN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22814; PubChem:CID6889
|
Local ready
Direct docking supported
|
|
E3L000622
BDB000622
|
5-Iodoisatin
O=C1Nc2ccc(I)cc2C1=O
|
C8H4INO2 273.029000 |
OEUGDMOJQQLVAZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22815; PubChem:CID88695
|
Local ready
Direct docking supported
|
|
E3L000623
BDB000623
|
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
O=C1Nc2ccc(OC(F)(F)F)cc2C1=O
|
C9H4F3NO3 231.129000 |
XHAJMVPMNOBILF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22816; PubChem:CID2732752
|
Local ready
Direct docking supported
|
|
E3L000624
BDB000624
|
5-Nitroisatin
O=C1Nc2ccc([N+](=O)[O-])cc2C1=O
|
C8H4N2O4 192.130000 |
UNMYHYODJHKLOC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22817; PubChem:CID4669250
|
Local ready
Direct docking supported
|
|
E3L000625
BDB000625
|
5-Bromo-1-(2-methyl-2-propen-1-yl)-1H-indole-2,3-dione
C=C(C)CN1C(=O)C(=O)c2cc(Br)ccc21
|
C12H10BrNO2 280.121000 |
RUGKDKWVOXRCGI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22818; PubChem:CID1755771
|
Local ready
Direct docking supported
|
|
E3L000626
BDB000626
|
6-ethyl-1H-indole-2,3-dione
CCc1ccc2c(c1)NC(=O)C2=O
|
C10H9NO2 175.187000 |
HLRUCDIVVJMXEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22819; PubChem:CID13827083
|
Local ready
Direct docking supported
|
|
E3L000627
BDB000627
|
6-Chloroindoline-2,3-dione
O=C1Nc2cc(Cl)ccc2C1=O
|
C8H4ClNO2 181.578000 |
RVXLBLSGEPQBIO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22820; PubChem:CID241331
|
Local ready
Direct docking supported
|
|
E3L000628
BDB000628
|
7-Methylisatin
Cc1cccc2c1NC(=O)C2=O
|
C9H7NO2 161.160000 |
UEHZKEABUOAZSH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22821; PubChem:CID14313
|
Local ready
Direct docking supported
|
|
E3L000629
BDB000629
|
7-Fluoroisatin
O=C1Nc2c(F)cccc2C1=O
|
C8H4FNO2 165.123000 |
HGBGVEOXPHGSOS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22822; PubChem:CID586418
|
Local ready
Direct docking supported
|
|
E3L000630
BDB000630
|
7-Chloroisatin
O=C1Nc2c(Cl)cccc2C1=O
|
C8H4ClNO2 181.578000 |
MPLXQMMMGDYXIT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22823; PubChem:CID344135
|
Local ready
Direct docking supported
|
|
E3L000631
BDB000631
|
7-methoxy-2,3-dihydro-1H-indole-2,3-dione
COc1cccc2c1NC(=O)C2=O
|
C9H7NO3 177.159000 |
URXIUXOJSICGOD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22824; PubChem:CID4088910
|
Local ready
Direct docking supported
|
|
E3L000632
BDB000632
|
7-Trifluoromethylisatin
O=C1Nc2c(cccc2C(F)(F)F)C1=O
|
C9H4F3NO2 215.130000 |
MXLDJTXXAYVWDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22825; PubChem:CID604575
|
Local ready
Direct docking supported
|
|
E3L000633
BDB000633
|
2,3-Dioxoindoline-7-carboxylic acid
O=C1Nc2c(C(=O)O)cccc2C1=O
|
C9H5NO4 191.142000 |
ROODQCZSWXEDJL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22826; PubChem:CID2779383
|
Local ready
Direct docking supported
|
|
E3L000634
BDB000634
|
4,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
Cc1ccc(C)c2c1NC(=O)C2=O
|
C10H9NO2 175.187000 |
VYRDPBOVRAVNKT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22827; PubChem:CID3264931
|
Local ready
Direct docking supported
|
|
E3L000635
BDB000635
|
5,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
Cc1cc(C)c2c(c1)C(=O)C(=O)N2
|
C10H9NO2 175.187000 |
HFZSCCJTJGWTDZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22828; PubChem:CID38296
|
Local ready
Direct docking supported
|
|
E3L000636
BDB000636
|
4,5-Dichloro-1H-indole-2,3-dione
O=C1Nc2ccc(Cl)c(Cl)c2C1=O
|
C8H3Cl2NO2 216.023000 |
WWSWHYAXEFLETD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22829; PubChem:CID5139980
|
Local ready
Direct docking supported
|
|
E3L000637
BDB000637
|
4,6-Dichloroisatin
O=C1Nc2cc(Cl)cc(Cl)c2C1=O
|
C8H3Cl2NO2 216.023000 |
CGCVHJCZBIYRQC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22830; PubChem:CID251908
|
Local ready
Direct docking supported
|
|
E3L000638
BDB000638
|
4,7-Dichloroisatin
O=C1Nc2c(Cl)ccc(Cl)c2C1=O
|
C8H3Cl2NO2 216.023000 |
NUXYYWOWNFEMNH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22831; PubChem:CID2734793
|
Local ready
Direct docking supported
|
|
E3L000639
BDB000639
|
5,6-dichloro-1H-indole-2,3-dione
O=C1Nc2cc(Cl)c(Cl)cc2C1=O
|
C8H3Cl2NO2 216.023000 |
KIFKRDLEAQUAAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22832; PubChem:CID11009341
|
Local ready
Direct docking supported
|
|
E3L000640
BDB000640
|
5,7-Dichloro-1H-indole-2,3-dione
O=C1Nc2c(Cl)cc(Cl)cc2C1=O
|
C8H3Cl2NO2 216.023000 |
AYGGQJHJRFZDFH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22833; PubChem:CID80771
|
Local ready
Direct docking supported
|