| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000601
BDB000601
|
1-Benzylisatin
O=C1C(=O)N(Cc2ccccc2)c2ccccc21
|
C15H11NO2 237.258000 |
SIISFRLGYDVIRG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22794; PubChem:CID264734
|
Local ready
Direct docking supported
|
|
E3L000602
BDB000602
|
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21
|
C15H10ClNO2 271.703000 |
VEBLIIOSJXGVAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22795; PubChem:CID277990
|
Local ready
Direct docking supported
|
|
E3L000603
BDB000603
|
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21
|
C15H9Cl2NO2 306.148000 |
KGRJPLRFGLMQMV-UHFFFAOYSA-N | O14727, P00748 | Coagulation factor XII, Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM22796; PubChem:CID1901244
|
Local ready
Direct docking supported
|
|
E3L000604
BDB000604
|
BDBM22797
Cc1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1
|
C16H14N2O2 266.300000 |
UFTXSYLWLUWMAC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22797; PubChem:CID2305233
|
Local ready
Direct docking supported
|
|
E3L000605
BDB000605
|
BDBM22798
Cc1cc(C)c(NCN2C(=O)C(=O)c3ccccc32)cc1C
|
C18H18N2O2 294.354000 |
NKKWAKKVEVLEPX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22798; PubChem:CID2731127
|
Local ready
Direct docking supported
|
|
E3L000606
BDB000606
|
BDBM22799
CCc1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1
|
C17H16N2O2 280.327000 |
RSHQIUJQSSPXSC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22799; PubChem:CID2731733
|
Local ready
Direct docking supported
|
|
E3L000607
BDB000607
|
BDBM22800
CC(C)(C)c1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1
|
C19H20N2O2 308.381000 |
CUJLSJKIJGUGKA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22800; PubChem:CID2731902
|
Local ready
Direct docking supported
|
|
E3L000608
BDB000608
|
BDBM22801
COc1cc(NCN2C(=O)C(=O)c3ccccc32)cc(OC)c1OC
|
C18H18N2O5 342.351000 |
PMOXSSDYTPGESZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22801; PubChem:CID2731732
|
Local ready
Direct docking supported
|
|
E3L000609
BDB000609
|
BDBM22802
O=C1C(=O)N(CNc2ccc3ccccc3c2)c2ccccc21
|
C19H14N2O2 302.333000 |
RGIFBNSLZLAVPT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22802; PubChem:CID2731126
|
Local ready
Direct docking supported
|
|
E3L000610
BDB000610
|
1-{[(4-chlorophenyl)amino]methyl}-1H-indole-2,3-dione
O=C1C(=O)N(CNc2ccc(Cl)cc2)c2ccccc21
|
C15H11ClN2O2 286.718000 |
WHPTVTWMXGFSRJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22803; PubChem:CID2147394
|
Local ready
Direct docking supported
|
|
E3L000611
BDB000611
|
BDBM22804
O=C1C(=O)N(CNc2ccccc2Br)c2ccccc21
|
C15H11BrN2O2 331.169000 |
YTOQIXBNOAUXJW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22804; PubChem:CID2731904
|
Local ready
Direct docking supported
|
|
E3L000612
BDB000612
|
1-[(4-Bromoanilino)methyl]indole-2,3-dione
O=C1C(=O)N(CNc2ccc(Br)cc2)c2ccccc21
|
C15H11BrN2O2 331.169000 |
ZAQVKSRGAWOLLX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22805; PubChem:CID4338240
|
Local ready
Direct docking supported
|
|
E3L000613
BDB000613
|
BDBM22806
O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(O)cc1
|
C16H12N2O4 296.282000 |
AKBZVUUQHVAIOA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22806; PubChem:CID3329233
|
Local ready
Direct docking supported
|
|
E3L000614
BDB000614
|
BDBM22807
Cc1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)c1
|
C17H14N2O3 294.310000 |
UTYQTGGBFCQOTL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22807; PubChem:CID1713189
|
Local ready
Direct docking supported
|
|
E3L000615
BDB000615
|
4-Ethyl isatin
CCc1cccc2c1C(=O)C(=O)N2
|
C10H9NO2 175.187000 |
CKFAWBMSCAGKKE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22808; PubChem:CID13827082
|
Local ready
Direct docking supported
|
|
E3L000616
BDB000616
|
4-Chloroisatin
O=C1Nc2cccc(Cl)c2C1=O
|
C8H4ClNO2 181.578000 |
HSYFISNDMZKGRS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22809; PubChem:CID96047
|
Local ready
Direct docking supported
|
|
E3L000617
BDB000617
|
5-Methylisatin
Cc1ccc2c(c1)C(=O)C(=O)N2
|
C9H7NO2 161.160000 |
VAJCSPZKMVQIAP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22810; PubChem:CID11840
|
Local ready
Direct docking supported
|
|
E3L000618
BDB000618
|
5-Methoxyisatin
COc1ccc2c(c1)C(=O)C(=O)N2
|
C9H7NO3 177.159000 |
DMHGXMPXHPOXBF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22811; PubChem:CID38333
|
Local ready
Direct docking supported
|
|
E3L000619
BDB000619
|
5-Fluoroisatin
O=C1Nc2ccc(F)cc2C1=O
|
C8H4FNO2 165.123000 |
GKODDAXOSGGARJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22812; PubChem:CID236566
|
Local ready
Direct docking supported
|
|
E3L000620
BDB000620
|
5-chloro-1H-indole-2,3-dione
O=C1Nc2ccc(Cl)cc2C1=O
|
C8H4ClNO2 181.578000 |
XHDJYQWGFIBCEP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22813; PubChem:CID87203
|
Local ready
Direct docking supported
|