| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002041
BDB002041
|
2-acetyl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CC(=O)n1nc2nc(C)cc(C)c2c1N
|
C10H12N4O 204.233000 |
QUCBBNOPVFRPAV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40374; PubChem:CID3245414
|
Local ready
Direct docking supported
|
|
E3L002042
BDB002042
|
BDBM40375
Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)NCCOc1ccccc1
|
C20H24N2O4S 388.489000 |
GDFYWRDQXKENEG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40375; PubChem:CID1811245
|
Local ready
Direct docking supported
|
|
E3L002043
BDB002043
|
1-(3-fluorobenzoyl)-1H-1,2,3-benzotriazole
O=C(c1cccc(F)c1)n1nnc2ccccc21
|
C13H8FN3O 241.225000 |
OBZIPCONUJAXFL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40376; PubChem:CID807814
|
Local ready
Direct docking supported
|
|
E3L002044
BDB002044
|
BDBM40377
COC(=O)c1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1
|
C18H19N3O5 357.366000 |
XYXNVTIISTWIGZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40377; PubChem:CID2207221
|
Local ready
Direct docking supported
|
|
E3L002045
BDB002045
|
BDBM40378
O=C(CCC1COc2ccccc2O1)NCc1ccco1
|
C16H17NO4 287.315000 |
NBHYJZVCXZMVJU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40378; PubChem:CID2965121
|
Local ready
Direct docking supported
|
|
E3L002046
BDB002046
|
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
|
C15H17N3O3S2 351.453000 |
JYXYORMUHPDZOG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40379; PubChem:CID1101752
|
Local ready
Direct docking supported
|
|
E3L002047
BDB002047
|
1-(2-Fluorophenyl)-4-(propylsulfonyl)piperazine
CCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
|
C13H19FN2O2S 286.372000 |
VIJDFUIVZNQXIB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40380; PubChem:CID2947309
|
Local ready
Direct docking supported
|
|
E3L002048
BDB002048
|
BDBM40381
O=C(NCC1CCCO1)c1ccc(COCC(F)(F)C(F)F)cc1
|
C16H19F4NO3 349.324000 |
NWELHOQLZPPZGR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40381; PubChem:CID2941650
|
Local ready
Direct docking supported
|
|
E3L002049
BDB002049
|
BDBM40382
O=C(c1csc2c1CCCC2)n1cccn1
|
C12H12N2OS 232.308000 |
YREXHXNSUMZDHN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40382; PubChem:CID1245419
|
Local ready
Direct docking supported
|
|
E3L002050
BDB002050
|
BDBM40383
CC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C
|
C19H24N2O3 328.412000 |
JNWKHNANKUHZDT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40383; PubChem:CID2962051
|
Local ready
Direct docking supported
|
|
E3L002051
BDB002051
|
4-(2,3-dimethoxybenzoyl)-4H-1,2,4-triazol-3-amine
COc1cccc(C(=O)n2cnnc2N)c1OC
|
C11H12N4O3 248.242000 |
NKPSSJSMZHHWJT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40384; PubChem:CID2226284
|
Local ready
Direct docking supported
|
|
E3L002052
BDB002052
|
BDBM40385
CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl
|
C14H13Cl2N3O3S 374.249000 |
XWISOOCATLZOMD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40385; PubChem:CID1300520
|
Local ready
Direct docking supported
|
|
E3L002053
BDB002053
|
BDBM40386
Cc1noc(C)c1C(=O)NC(C)c1ccc2c(c1)OCO2
|
C15H16N2O4 288.303000 |
HGMMLVXDYWALMS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40386; PubChem:CID2971164
|
Local ready
Direct docking supported
|
|
E3L002054
BDB002054
|
BDBM40387
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(S(C)(=O)=O)n2)cc1
|
C19H23N5O4S 417.491000 |
DYRWMCVXDPUZNP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40387; PubChem:CID1258480
|
Local ready
Direct docking supported
|
|
E3L002055
BDB002055
|
BDBM40388
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
|
C21H20N2O5S 412.467000 |
JSRJHJSVFGCCLW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40388; PubChem:CID1281358
|
Local ready
Direct docking supported
|
|
E3L002056
BDB002056
|
BDBM40389
O=C(O)C1CCCCC1C(=O)NCCc1ccccc1
|
C16H21NO3 275.348000 |
ZVGKSRYCAMAYDG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40389; PubChem:CID2841922
|
Local ready
Direct docking supported
|
|
E3L002057
BDB002057
|
BDBM40390
COc1ccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1
|
C22H23N3O3 377.444000 |
QOEOKUAZHXOIRZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40390; PubChem:CID1094864
|
Local ready
Direct docking supported
|
|
E3L002058
BDB002058
|
BDBM40391
CCOC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
|
C17H20FN3O4 349.362000 |
NCNSSDSKVSYSAV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40391; PubChem:CID5308699
|
Local ready
Direct docking supported
|
|
E3L002059
BDB002059
|
BDBM40392
Cc1c(C(=O)OCCOC(C)C)[nH]c2c1C(=O)CC(C)(C)C2
|
C17H25NO4 307.390000 |
RFLQEZYPIYOZPU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40392; PubChem:CID3162310
|
Local ready
Direct docking supported
|
|
E3L002060
BDB002060
|
BDBM40393
CCCSc1nnc(-c2c[nH]c3ccccc23)n1C
|
C14H16N4S 272.377000 |
GJOMJSKCSPNLCE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM40393; PubChem:CID4581303
|
Local ready
Direct docking supported
|