| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001621
BDB001621
|
4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine
Cc1ccc(C(=O)n2cnnc2N)cc1
|
C10H10N4O 202.217000 |
QXYXZOXEPMANBZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32713; PubChem:CID892616
|
Local ready
Direct docking supported
|
|
E3L001622
BDB001622
|
BDBM32722
CSc1nc(-c2ccco2)nn1C(=O)c1ccc(Cl)cc1
|
C14H10ClN3O2S 319.773000 |
JBCIQOTXWVGRSP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32722; PubChem:CID3586641
|
Local ready
Direct docking supported
|
|
E3L001623
BDB001623
|
BDBM32728
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)n2nnc3ccccc32)c1
|
C23H17N5O2 395.422000 |
JLDPLLXBILOCTH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32728; PubChem:CID2140154
|
Local ready
Direct docking supported
|
|
E3L001624
BDB001624
|
BDBM32748
Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)no1
|
C19H20N4O4 368.393000 |
USJUWNBUUJTDCF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32748; PubChem:CID2126283
|
Local ready
Direct docking supported
|
|
E3L001625
BDB001625
|
BDBM32752
O=C(CCSc1nnc2ccc3ccccc3n12)Nc1ccc(F)cc1
|
C19H15FN4OS 366.421000 |
SOOKCLBBQRPXBC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32752; PubChem:CID1301366
|
Local ready
Direct docking supported
|
|
E3L001626
BDB001626
|
BDBM32753
N#Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1
|
C18H21N3O4 343.383000 |
FNDKZAFZEOXKPT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32753; PubChem:CID2100448
|
Local ready
Direct docking supported
|
|
E3L001627
BDB001627
|
Isonicotinic acid 3-chloro-4-oxo-4H-chromen-7-yl ester
O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1ccncc1
|
C15H8ClNO4 301.685000 |
JSMBBGQYEKUUJF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32754; PubChem:CID645682
|
Local ready
Direct docking supported
|
|
E3L001628
BDB001628
|
BDBM32756
Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
|
C14H10FN3O5S 351.315000 |
YHILZMQMDKTBFN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32756; PubChem:CID647599
|
Local ready
Direct docking supported
|
|
E3L001629
BDB001629
|
BDBM32758
CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
|
C17H14N2O7 358.306000 |
HAPFPNSMGAADOQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32758; PubChem:CID650772
|
Local ready
Direct docking supported
|
|
E3L001630
BDB001630
|
BDBM32761
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1
|
C15H13N3O6S 363.351000 |
VKPLBOPLYIVTRL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32761; PubChem:CID653862
|
Local ready
Direct docking supported
|
|
E3L001631
BDB001631
|
BDBM32763
CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1
|
C16H23NO4 293.363000 |
XARYNIYAGVXTRM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32763; PubChem:CID655036
|
Local ready
Direct docking supported
|
|
E3L001632
BDB001632
|
Prop-2-ynyl 2-(benzotriazole-1-carbonyl)benzoate
C#CCOC(=O)c1ccccc1C(=O)n1nnc2ccccc21
|
C17H11N3O3 305.293000 |
CSUAPNQISCNOJK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32765; PubChem:CID658532
|
Local ready
Direct docking supported
|
|
E3L001633
BDB001633
|
BDBM32766
COc1ccccc1/N=C/c1nc(-c2ccccc2)oc1OC(C)=O
|
C19H16N2O4 336.347000 |
BYASTERBUAMEAY-UDWIEESQSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM32766
|
Local ready
Direct docking supported
|
|
E3L001634
BDB001634
|
BDBM32768
O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccccc1)c1ccco1
|
C19H12N2O5 348.314000 |
ZBVMFYIAGCLVCR-UDWIEESQSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM32768
|
Local ready
Direct docking supported
|
|
E3L001635
BDB001635
|
BDBM32772
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCSc1ncccn1
|
C21H23N7O2S 437.529000 |
QULCCXJULPPHAK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32772; PubChem:CID666425
|
Local ready
Direct docking supported
|
|
E3L001636
BDB001636
|
BDBM32773
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccs1
|
C12H7ClN2OS3 326.855000 |
SZEJCYRSPJKVSH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32773; PubChem:CID2168035
|
Local ready
Direct docking supported
|
|
E3L001637
BDB001637
|
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
|
C15H12N2O2S2 316.407000 |
ARDXTNYXOIAXHF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32776; PubChem:CID746912
|
Local ready
Direct docking supported
|
|
E3L001638
BDB001638
|
[2-(2-Cyanoethyl)-5-methylpyrazol-3-yl] benzoate
Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
|
C14H13N3O2 255.277000 |
GUZMAFFEUZOWIP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32778; PubChem:CID2366780
|
Local ready
Direct docking supported
|
|
E3L001639
BDB001639
|
BDBM32786
COC(=O)c1cccc(NC(=O)CSc2nnc[nH]2)c1
|
C12H12N4O3S 292.320000 |
GGLBDHZEAFGWRL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32786; PubChem:CID2238286
|
Local ready
Direct docking supported
|
|
E3L001640
BDB001640
|
1-[2-(ethylthio)benzoyl]-1H-1,2,3-benzotriazole
CCSc1ccccc1C(=O)n1nnc2ccccc21
|
C15H13N3OS 283.356000 |
PAADVYQHTJOJPN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32787; PubChem:CID2212050
|
Local ready
Direct docking supported
|