| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002801
BDB002801
|
BDBM45671
Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)no1
|
C20H25N3O6S 435.502000 |
USDCEKIIPLSGMH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45671; PubChem:CID2483085
|
Local ready
Direct docking supported
|
|
E3L002802
BDB002802
|
BDBM45672
O=C(NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1F
|
C21H22FN3O4S 431.489000 |
BXVHPCDVYSVWKZ-XNTDXEJSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45672; PubChem:CID6223925
|
Local ready
Direct docking supported
|
|
E3L002803
BDB002803
|
BDBM45673
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)C1CCCCC1
|
C21H33N3O4S 423.579000 |
JBVDYQDCDCOANA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45673; PubChem:CID4879461
|
Local ready
Direct docking supported
|
|
E3L002804
BDB002804
|
BDBM45674
COc1ccc(O)c(C=NNC(=O)c2cc(=O)[nH]c3ccccc23)c1
|
C18H15N3O4 337.335000 |
WZBQYQBUYAHOBC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45674; PubChem:CID2315351
|
Local ready
Direct docking supported
|
|
E3L002805
BDB002805
|
BDBM45675
Cc1cccc(N2N=C(C(=O)N3CC(=O)Nc4ccccc43)CCC2=O)c1
|
C20H18N4O3 362.389000 |
SOKMLGQJNAJECL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45675; PubChem:CID4884436
|
Local ready
Direct docking supported
|
|
E3L002806
BDB002806
|
BDBM45676
CC(C1CC2CCC1C2)n1cc(O)c(-c2nc3ccccc3[nH]2)c1N
|
C20H24N4O 336.439000 |
DMZIRWOKFVEFRU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45676; PubChem:CID91896664
|
Local ready
Direct docking supported
|
|
E3L002807
BDB002807
|
BDBM45677
O=C(Nc1nnc(C(F)(F)F)[nH]1)c1cccs1
|
C8H5F3N4OS 262.216000 |
WGFZZAMGCMHIFU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45677; PubChem:CID2097024
|
Local ready
Direct docking supported
|
|
E3L002808
BDB002808
|
BDBM45678
CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
|
C17H14N2O4 310.309000 |
PCOMOZFNQLODPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45678; PubChem:CID4875638
|
Local ready
Direct docking supported
|
|
E3L002809
BDB002809
|
BDBM45679
Cc1ccsc1C(=O)Nc1nnc(C(F)(F)F)[nH]1
|
C9H7F3N4OS 276.243000 |
NXTQGQURDPDRAY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45679; PubChem:CID2097045
|
Local ready
Direct docking supported
|
|
E3L002810
BDB002810
|
BDBM45680
O=C(CNCc1ccccn1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
|
C19H21F3N4O2 394.397000 |
CYWIAIKUMXRRBS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45680; PubChem:CID2082734
|
Local ready
Direct docking supported
|
|
E3L002811
BDB002811
|
BDBM45681
CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C
|
C15H15ClN2O3S 338.816000 |
JUNVWGHSLSEQOU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45681; PubChem:CID3707383
|
Local ready
Direct docking supported
|
|
E3L002812
BDB002812
|
BDBM45682
CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
|
C17H17N3O5 343.339000 |
APKVTBBQYOYTSN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45682; PubChem:CID2363932
|
Local ready
Direct docking supported
|
|
E3L002813
BDB002813
|
BDBM45683
O=C(N[C@H](C(=O)O)c1ccccc1)C1CCC(Cn2nnc3ccccc3c2=O)CC1
|
C23H24N4O4 420.469000 |
HCALKPNAORYWSW-LAGYLCCXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45683; PubChem:CID8027721
|
Local ready
Direct docking supported
|
|
E3L002814
BDB002814
|
BDBM45684
CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(=O)O)c1cccc(Cl)c1Cl
|
C17H15Cl2N3O5S 444.296000 |
KHXRNHKWNRSEFJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45684
|
Local ready
Direct docking supported
|
|
E3L002815
BDB002815
|
BDBM45685
O=C(O)CCN1C(=O)C2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O
|
C21H17NO4 347.370000 |
LVWFLTFTSGBKPM-VVXOGMOBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45685; PubChem:CID16411115
|
Local ready
Direct docking supported
|
|
E3L002816
BDB002816
|
BDBM45686
O=C(O)CN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S
|
C15H16N2O4S2 352.437000 |
SWDYMRUGEGFTAP-FLIBITNWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45686; PubChem:CID1837692
|
Local ready
Direct docking supported
|
|
E3L002817
BDB002817
|
BDBM45687
CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3
|
C23H25N5S 403.555000 |
FUAUHVLEKGYOBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45687; PubChem:CID1919081
|
Local ready
Direct docking supported
|
|
E3L002818
BDB002818
|
Gidazepam
NNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21
|
C17H15BrN4O2 387.237000 |
XLGCMZLSEXRBSG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45688; PubChem:CID121919
|
Local ready
Direct docking supported
|
|
E3L002819
BDB002819
|
BDBM45689
CC1(C)OC(=C/C=N/c2ccc(Cl)cc2)OC1(C)C
|
C15H18ClNO2 279.767000 |
JHLMJDYXOXCYRG-LICLKQGHSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM45689
|
Local ready
Direct docking supported
|
|
E3L002820
BDB002820
|
4-Chloro-2-methyl-5-(4-nitrophenoxy)pyridazin-3-one
Cn1ncc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1=O
|
C11H8ClN3O4 281.655000 |
XYKHHCYGPWCUAL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45690; PubChem:CID826310
|
Local ready
Direct docking supported
|