| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001641
BDB001641
|
1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole
O=C(c1csc2ccccc12)n1cccn1
|
C12H8N2OS 228.276000 |
PMDFFILEMKLIDC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32791; PubChem:CID841465
|
Local ready
Direct docking supported
|
|
E3L001642
BDB001642
|
1-Benzoyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Cc1nn(C(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2
|
C17H18N2O2 282.343000 |
CEUZPNLOWRYWGA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32794; PubChem:CID749826
|
Local ready
Direct docking supported
|
|
E3L001643
BDB001643
|
4-(3,4-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine
Cc1ccc(C(=O)n2cnnc2N)cc1C
|
C11H12N4O 216.244000 |
NLGIEPHLRWKDDF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32795; PubChem:CID887464
|
Local ready
Direct docking supported
|
|
E3L001644
BDB001644
|
BDBM32796
CSc1nc(-c2ccco2)nn1C(=O)c1ccc(C)cc1
|
C15H13N3O2S 299.355000 |
QOLOIIDNXILJRE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32796; PubChem:CID1088428
|
Local ready
Direct docking supported
|
|
E3L001645
BDB001645
|
BDBM32797
CSc1nc(-c2ccco2)nn1C(=O)c1ccco1
|
C12H9N3O3S 275.289000 |
REZYNFOIWKOLBD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32797; PubChem:CID977002
|
Local ready
Direct docking supported
|
|
E3L001646
BDB001646
|
(2-Acetyl-1-methylindol-3-yl) furan-2-carboxylate
CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
|
C16H13NO4 283.283000 |
AIPGCMWCXBZZQF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32798; PubChem:CID805223
|
Local ready
Direct docking supported
|
|
E3L001647
BDB001647
|
BDBM32799
FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1
|
C13H8F8N2 344.205000 |
ZWSZMCHCLUELLC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32799; PubChem:CID2249931
|
Local ready
Direct docking supported
|
|
E3L001648
BDB001648
|
1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone
O=C(c1ccc2c(c1)OCO2)n1nnc2ccccc21
|
C14H9N3O3 267.244000 |
GKBXJOCPZBRUIG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32801; PubChem:CID737680
|
Local ready
Direct docking supported
|
|
E3L001649
BDB001649
|
N-cyclohexyl-1-adamantanesulfinamide
[O-][S+](NC1CCCCC1)C12CC3CC(CC(C3)C1)C2
|
C16H27NOS 281.465000 |
YCKHXUSTUFHYKI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32802; PubChem:CID2853023
|
Local ready
Direct docking supported
|
|
E3L001650
BDB001650
|
BDBM32803
CC(=O)c1sc2ccccc2c1OC(=O)c1ccco1
|
C15H10O4S 286.308000 |
MYLXADGEQWLSJF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32803; PubChem:CID804965
|
Local ready
Direct docking supported
|
|
E3L001651
BDB001651
|
BDBM32804
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(C=O)CCCN=C(N)N
|
C27H44N10O6 604.713000 |
SDNYTAYICBFYFH-MAHYXTOZSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM32804
|
Local ready
Direct docking supported
|
|
E3L001652
BDB001652
|
5-Chloro-3-pyridinyl 2-furoate
O=C(Oc1cncc(Cl)c1)c1ccco1
|
C10H6ClNO3 223.615000 |
DWJOEJDGHVXXEB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32805; PubChem:CID7230550
|
Local ready
Direct docking supported
|
|
E3L001653
BDB001653
|
Benzotriazol-1-yl-(3,4-dimethoxyphenyl)methanone
COc1ccc(C(=O)n2nnc3ccccc32)cc1OC
|
C15H13N3O3 283.287000 |
GCEWJBIDLIIRAB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32806; PubChem:CID743706
|
Local ready
Direct docking supported
|
|
E3L001654
BDB001654
|
BDBM32809
CCOC(=O)N1CCN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)CC1
|
C17H25N3O6S 399.469000 |
AQRJUILVJZPUEI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32809; PubChem:CID978417
|
Local ready
Direct docking supported
|
|
E3L001655
BDB001655
|
2-(2-chlorophenyl)-4H-thieno[3,2-d][1,3]oxazin-4-one
O=c1oc(-c2ccccc2Cl)nc2ccsc12
|
C12H6ClNO2S 263.705000 |
RVSYWOORIBXTII-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32813; PubChem:CID1485389
|
Local ready
Direct docking supported
|
|
E3L001656
BDB001656
|
BDBM32815
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)n2nnc3ccccc32)cc1
|
C23H17N5O2 395.422000 |
YKAFBQRMJLHRNK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32815; PubChem:CID1326637
|
Local ready
Direct docking supported
|
|
E3L001657
BDB001657
|
2-chloro-N-(6-methyl-2-pyridyl)-5-succinimido-benzamide
Cc1cccc(NC(=O)c2cc(-n3c(O)ccc3O)ccc2Cl)n1
|
C17H14ClN3O3 343.770000 |
MGEJKEBFRDPUPV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32816; PubChem:CID91896160
|
Local ready
Direct docking supported
|
|
E3L001658
BDB001658
|
BDBM32817
COc1ccc(N2C(=O)C(Cl)=C(N3CCCC(C)C3)C2=O)cc1
|
C17H19ClN2O3 334.803000 |
PXGIAWSSFXNWBW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32817; PubChem:CID2791456
|
Local ready
Direct docking supported
|
|
E3L001659
BDB001659
|
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CN(C)c1ccc(C(=O)n2nnc3ccccc32)cc1
|
C15H14N4O 266.304000 |
KDBJYASZCNEBLA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32820; PubChem:CID694547
|
Local ready
Direct docking supported
|
|
E3L001660
BDB001660
|
BDBM32821
COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(C)cc3)nc1-2
|
C20H18N2O2S 350.443000 |
BVKHVUZELWXEFK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM32821; PubChem:CID3553484
|
Local ready
Direct docking supported
|