| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002701
BDB002701
|
N'-butanoyl-2-methylfuran-3-carbohydrazide
CCCC(=O)NNC(=O)c1ccoc1C
|
C10H14N2O3 210.233000 |
BUMXVZGNLUKIQJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45571; PubChem:CID1789244
|
Local ready
Direct docking supported
|
|
E3L002702
BDB002702
|
BDBM45572
O=C(CCC(=O)NN=Cc1ccc(Br)s1)NCc1ccccc1
|
C16H16BrN3O2S 394.294000 |
GOZVPOAXFAHKPG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45572; PubChem:CID3813249
|
Local ready
Direct docking supported
|
|
E3L002703
BDB002703
|
2,3-Dimethylindole-1-propanenitrile
Cc1c(C)n(CCC#N)c2ccccc12
|
C13H14N2 198.269000 |
IUOGDYFHVOLNEQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45573; PubChem:CID4175802
|
Local ready
Direct docking supported
|
|
E3L002704
BDB002704
|
ethyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate
CCOC(=O)c1cn(Cc2ccccc2)nn1
|
C12H13N3O2 231.255000 |
CATUHLOREXQBLO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45574; PubChem:CID849722
|
Local ready
Direct docking supported
|
|
E3L002705
BDB002705
|
BDBM45575
CC1CC(NC(=O)C2C3CCC(O3)C2C(=O)O)CC(C)(C)C1
|
C17H27NO4 309.406000 |
GDYZQHMAUYZCAF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45575; PubChem:CID4083369
|
Local ready
Direct docking supported
|
|
E3L002706
BDB002706
|
Ethyl 5-amino-1-benzoylpyrazole-4-carboxylate
CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N
|
C13H13N3O3 259.265000 |
ZAQAZPZIVUVMRV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45576; PubChem:CID801218
|
Local ready
Direct docking supported
|
|
E3L002707
BDB002707
|
BDBM45577
CCN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1
|
C15H18ClFN2O 296.773000 |
WFODIYJKQCZWFD-VOTSOKGWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45577; PubChem:CID898924
|
Local ready
Direct docking supported
|
|
E3L002708
BDB002708
|
BDBM45578
COc1cc2nc(COc3ccccc3[N+](=O)[O-])oc(=O)c2cc1OC
|
C17H14N2O7 358.306000 |
BJSCEFMPZLTJAD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45578; PubChem:CID1312679
|
Local ready
Direct docking supported
|
|
E3L002709
BDB002709
|
BDBM45579
COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)c(OC)c1
|
C25H27N5O4 461.522000 |
FXEKJHUHKXCQIA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45579; PubChem:CID4907452
|
Local ready
Direct docking supported
|
|
E3L002710
BDB002710
|
BDBM45580
COc1ccc(C2=NN(C(=O)CCCC(=O)O)C(c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1
|
C30H28N4O4 508.578000 |
RRVDRGGMJTTZLJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45580; PubChem:CID3132761
|
Local ready
Direct docking supported
|
|
E3L002711
BDB002711
|
BDBM45581
CN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1
|
C17H23FN6O 346.410000 |
GJGUZYTWFPTYFT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45581; PubChem:CID3231040
|
Local ready
Direct docking supported
|
|
E3L002712
BDB002712
|
4,6-Dimethyl-2-[(4-nitrobenzyl)thio]nicotinonitrile
Cc1cc(C)c(C#N)c(SCc2ccc([N+](=O)[O-])cc2)n1
|
C15H13N3O2S 299.355000 |
DUEAGAZSJQWTKX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45582; PubChem:CID736358
|
Local ready
Direct docking supported
|
|
E3L002713
BDB002713
|
BDBM45583
Cc1ccc(Cn2cc(C=NNC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc32)cc1
|
C29H26N6O2S 522.634000 |
FCFIMGYJKSFKSJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45583; PubChem:CID1617457
|
Local ready
Direct docking supported
|
|
E3L002714
BDB002714
|
BDBM45584
CSc1nsc2nc(=O)c(/C=C3\C(C)=Nc4ccc(C)cc43)c(N)n12
|
C17H15N5OS2 369.475000 |
GIHBZAMJFMGKFQ-JXMROGBWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45584; PubChem:CID16187613
|
Local ready
Direct docking supported
|
|
E3L002715
BDB002715
|
3-Chloro-4,5-dimethoxybenzamide
COc1cc(C(N)=O)cc(Cl)c1OC
|
C9H10ClNO3 215.636000 |
GUIKIHAKNSUDTK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45585; PubChem:CID900807
|
Local ready
Direct docking supported
|
|
E3L002716
BDB002716
|
BDBM45586
CSc1ccccc1C(=O)C1CCCN(S(=O)(=O)N(C)C)C1
|
C15H22N2O3S2 342.486000 |
XUCDINNPUXYIMG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45586; PubChem:CID16187920
|
Local ready
Direct docking supported
|
|
E3L002717
BDB002717
|
4-(3-methylbenzoyl)-4H-1,2,4-triazol-3-amine
Cc1cccc(C(=O)n2cnnc2N)c1
|
C10H10N4O 202.217000 |
GPQLYNCGPNLCSU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45587; PubChem:CID894972
|
Local ready
Direct docking supported
|
|
E3L002718
BDB002718
|
5-(1,3-Diphenylimidazolidin-2-yl)-2-methoxyphenol
COc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1O
|
C22H22N2O2 346.430000 |
AARKQWCTGNOAHP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45588; PubChem:CID749779
|
Local ready
Direct docking supported
|
|
E3L002719
BDB002719
|
BDBM45589
O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F
|
C17H13FN4O3S3 436.515000 |
QNYMIRAKEOPQPG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45589; PubChem:CID1981249
|
Local ready
Direct docking supported
|
|
E3L002720
BDB002720
|
N-(4-oxoquinazolin-3-yl)decanamide
CCCCCCCCCC(=O)Nn1cnc2ccccc2c1=O
|
C18H25N3O2 315.417000 |
NVGHPDANMAKXKD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45590; PubChem:CID1649169
|
Local ready
Direct docking supported
|