| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002021
BDB002021
|
BDBM40354
CCOC(=O)c1sc2ncnc(N3CCN(C(=O)OCC)CC3)c2c1C
|
C17H22N4O4S 378.454000 |
NFTXYWUFEVLODH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40354; PubChem:CID3236381
|
Local ready
Direct docking supported
|
|
E3L002022
BDB002022
|
BDBM40355
COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c(OC)c1
|
C21H21ClN4O6S 492.941000 |
ZAKYCQCVKIRTES-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40355; PubChem:CID3237102
|
Local ready
Direct docking supported
|
|
E3L002023
BDB002023
|
BDBM40356
CCOCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C
|
C17H18N4O2 310.357000 |
IZBABRHCSGGXAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40356; PubChem:CID3237391
|
Local ready
Direct docking supported
|
|
E3L002024
BDB002024
|
BDBM40357
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCC1=CCCCC1
|
C19H24N2O3 328.412000 |
GOAMFDINFKIMQQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40357; PubChem:CID3237540
|
Local ready
Direct docking supported
|
|
E3L002025
BDB002025
|
BDBM40358
COc1ccccc1-n1c(CNC(=O)COc2ccccc2)n[nH]c1=S
|
C18H18N4O3S 370.434000 |
DOPJRMACADNHPF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40358; PubChem:CID3237855
|
Local ready
Direct docking supported
|
|
E3L002026
BDB002026
|
4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamide
CC(C)NC(=O)CCCc1cn(C)c2ccccc12
|
C16H22N2O 258.365000 |
KBGBJGTYOSDAFM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40359; PubChem:CID3238185
|
Local ready
Direct docking supported
|
|
E3L002027
BDB002027
|
BDBM40360
COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1
|
C15H14N2O3 270.288000 |
ORXWSLDGQVRACV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40360; PubChem:CID3076954
|
Local ready
Direct docking supported
|
|
E3L002028
BDB002028
|
BDBM40361
CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(C)c(Br)c1
|
C15H16BrN7O3 422.243000 |
UJHIADNNLJNJLM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40361; PubChem:CID1044872
|
Local ready
Direct docking supported
|
|
E3L002029
BDB002029
|
BDBM40362
COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1
|
C27H33N5O3 475.593000 |
PTRLANIIQYVQQC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40362; PubChem:CID3239574
|
Local ready
Direct docking supported
|
|
E3L002030
BDB002030
|
BDBM40363
COc1ccc(N2CCN(C(CNC(=O)c3cccc(Cl)c3)c3cccnc3)CC2)cc1
|
C25H27ClN4O2 450.970000 |
ZPVWRXFBRZSFAZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40363; PubChem:CID3240145
|
Local ready
Direct docking supported
|
|
E3L002031
BDB002031
|
BDBM40364
CC(C)CCn1c(=S)[nH]c2ncccc2c1=O
|
C12H15N3OS 249.339000 |
SDGJDKNCDDMKLR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40364; PubChem:CID3240334
|
Local ready
Direct docking supported
|
|
E3L002032
BDB002032
|
BDBM40365
CCOC(=O)N1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(OC)cc3)cc2)CC1
|
C22H27N3O6S 461.540000 |
SNURVLFRIAOHEI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40365; PubChem:CID3241212
|
Local ready
Direct docking supported
|
|
E3L002033
BDB002033
|
BDBM40366
O=C1C(c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1
|
C23H31N3O2 381.520000 |
FIWLCMQMHSJMAX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40366; PubChem:CID3241930
|
Local ready
Direct docking supported
|
|
E3L002034
BDB002034
|
BDBM40367
CCCCC1(CC)C(=O)NC(=O)N=C1Nc1ccc(OC)cc1
|
C17H23N3O3 317.389000 |
UJGCCRPWGDSHRC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40367; PubChem:CID135463949
|
Local ready
Direct docking supported
|
|
E3L002035
BDB002035
|
BDBM40368
CCC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
|
C14H12O3S 260.314000 |
BUOREIVKKAYCJA-BJMVGYQFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40368; PubChem:CID5476555
|
Local ready
Direct docking supported
|
|
E3L002036
BDB002036
|
1-{[4-(1H-pyrrol-1-yl)phenyl]acetyl}indoline
O=C(Cc1ccc(-n2cccc2)cc1)N1CCc2ccccc21
|
C20H18N2O 302.377000 |
RWAMCYOMQJYQTP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40369; PubChem:CID3243138
|
Local ready
Direct docking supported
|
|
E3L002037
BDB002037
|
BDBM40370
CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C
|
C16H20N4O3S 348.428000 |
AEYMMMCPMGPYRP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40370; PubChem:CID866654
|
Local ready
Direct docking supported
|
|
E3L002038
BDB002038
|
5-amino-1-(phenylsulfonyl)-1H-pyrazol-3-yl pivalate
CC(C)(C)C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1
|
C14H17N3O4S 323.374000 |
LNQHVRCKKKMURC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40371; PubChem:CID3243640
|
Local ready
Direct docking supported
|
|
E3L002039
BDB002039
|
BDBM40372
CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1
|
C15H20ClFN2O3S 362.854000 |
BVCZGIWUAVZBNX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40372; PubChem:CID3244069
|
Local ready
Direct docking supported
|
|
E3L002040
BDB002040
|
N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamide
CC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1
|
C13H14N2O4S 294.332000 |
MZVWVVRFDDLKPE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40373; PubChem:CID3245061
|
Local ready
Direct docking supported
|