| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002821
BDB002821
|
BDBM45691
O=C(O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1
|
C22H19N3O2 357.413000 |
BICCDARBUKIKMR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45691; PubChem:CID1097871
|
Local ready
Direct docking supported
|
|
E3L002822
BDB002822
|
BDBM45692
COc1ccc(OC)c(CN=Nc2cc(C)nc(N3CCOCC3)n2)c1
|
C18H23N5O3 357.414000 |
UTXJJRSKMNIVQJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45692; PubChem:CID91896665
|
Local ready
Direct docking supported
|
|
E3L002823
BDB002823
|
Cyano(2-phenylhydrazinylidene)ethanimidothioic acid
N#CC(=NNc1ccccc1)C(N)=S
|
C9H8N4S 204.258000 |
XUOXEDOPLLUZBF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45693; PubChem:CID703041
|
Local ready
Direct docking supported
|
|
E3L002824
BDB002824
|
BDBM45694
COc1ccc(C2CC(=O)C(C(c3ccc(O)cc3)C3C(=O)CC(c4ccc(OC)cc4)CC3=O)C(=O)C2)cc1
|
C33H32O7 540.612000 |
HOGUCNPGZXMBGW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45694; PubChem:CID3776932
|
Local ready
Direct docking supported
|
|
E3L002825
BDB002825
|
BDBM45695
Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c2c1
|
C22H18N2O2S 374.465000 |
PIXCFJCUHPXEMZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45695; PubChem:CID1420394
|
Local ready
Direct docking supported
|
|
E3L002826
BDB002826
|
BDBM45696
CSc1nc(SCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3
|
C14H16N2O3S3 356.494000 |
IXXWYVBNIBPYDS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45696; PubChem:CID1868051
|
Local ready
Direct docking supported
|
|
E3L002827
BDB002827
|
Ethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CCOC(=O)CNC(=O)Cc1ccc(OC)cc1
|
C13H17NO4 251.282000 |
WRABAMUPUBBABY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45697; PubChem:CID1920892
|
Local ready
Direct docking supported
|
|
E3L002828
BDB002828
|
BDBM45698
Cc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
|
C22H27N3O5S 445.541000 |
IZPRAKDROYCAJQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45698; PubChem:CID3649208
|
Local ready
Direct docking supported
|
|
E3L002829
BDB002829
|
BDBM45699
O=C(Nc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1
|
C17H15ClN2O2 314.772000 |
MNHKYILFRYVHFG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45699; PubChem:CID3436530
|
Local ready
Direct docking supported
|
|
E3L002830
BDB002830
|
BDBM45700
CC1(C)CC(=O)C(=NNc2ccc(Br)cc2)C(=O)C1
|
C14H15BrN2O2 323.190000 |
RSBZSEBLXLCJDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45700
|
Local ready
Direct docking supported
|
|
E3L002831
BDB002831
|
1-[(3-Bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyridinium
Brc1c(C[n+]2ccccc2)nc2ccccn12
|
C13H11BrN3+ 289.156000 |
SDCFSFHWBKMEQP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45701; PubChem:CID915791
|
Local ready
Direct docking supported
|
|
E3L002832
BDB002832
|
BDBM45702
CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)C1c1ccc(OC)c(OC)c1
|
C18H22N2O5S 378.450000 |
DQTWGDAVOCNYMX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45702; PubChem:CID3096985
|
Local ready
Direct docking supported
|
|
E3L002833
BDB002833
|
BDBM45703
COc1ccc(C(=O)CSc2nc3ncccc3[nH]2)cc1OC
|
C16H15N3O3S 329.381000 |
MSADXYKGXYRMOT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45703; PubChem:CID3999131
|
Local ready
Direct docking supported
|
|
E3L002834
BDB002834
|
2-Methoxyphenazin-1-amine
COc1ccc2nc3ccccc3nc2c1N
|
C13H11N3O 225.251000 |
NXMHFOGBPMFZHN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45704; PubChem:CID610995
|
Local ready
Direct docking supported
|
|
E3L002835
BDB002835
|
BDBM45705
Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)c(C)c1
|
C19H26N4O4S 406.508000 |
QAOSLTWUJHWIJI-ZDUSSCGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45705; PubChem:CID7481717
|
Local ready
Direct docking supported
|
|
E3L002836
BDB002836
|
BDBM45706
Cc1ccsc1C=NNC(=O)c1ccc2c(c1)OCCO2
|
C15H14N2O3S 302.355000 |
TXKZEVWJSFXKFZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45706; PubChem:CID919968
|
Local ready
Direct docking supported
|
|
E3L002837
BDB002837
|
BDBM45707
COc1cccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)c1
|
C19H16N2O4 336.347000 |
FTTVJIBKWZJJQK-UDWIEESQSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45707
|
Local ready
Direct docking supported
|
|
E3L002838
BDB002838
|
BDBM45708
Cc1nonc1OC(C)CNCCNc1ccc([N+](=O)[O-])cc1
|
C14H19N5O4 321.337000 |
YABNBMMQOMXIHB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45708; PubChem:CID3836039
|
Local ready
Direct docking supported
|
|
E3L002839
BDB002839
|
4-Dodecanoylpiperazine-2,6-dione
CCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1
|
C16H28N2O3 296.411000 |
IDHQZKBICOXDJO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45709; PubChem:CID2775706
|
Local ready
Direct docking supported
|
|
E3L002840
BDB002840
|
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
Fc1ccc(SCCc2ccccn2)cc1
|
C13H12FNS 233.311000 |
LAGVFMQMEDEGPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45710; PubChem:CID761521
|
Local ready
Direct docking supported
|