| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032281
BDB032281
|
US20240059691, Example 1219
CNc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)ccn1
|
C19H28N6 340.475000 |
YJGVSRUWMTWYSN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652509; PubChem:CID163390326
|
Local ready
Direct docking supported
|
|
E3L032282
BDB032282
|
US20240059691, Example 1223
CN1CCC(CNc2ccc(CNc3nccc4[nH]ccc34)cn2)CC1
|
C20H26N6 350.470000 |
CFHMDIFNCPNJPN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652510; PubChem:CID171362697
|
Local ready
Direct docking supported
|
|
E3L032283
BDB032283
|
US20240059691, Example 1224
CN1CCC(CNc2ccc(CNc3ccc4cnccc4c3F)cn2)CC1
|
C22H26FN5 379.483000 |
DXCOONBXASCQJO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652511; PubChem:CID171362698
|
Local ready
Direct docking supported
|
|
E3L032284
BDB032284
|
US20240059691, Example 1226
Cc1c[nH]c2nccc(NCc3ccc(NCC4CCN(C)CC4)nc3)c12
|
C21H28N6 364.497000 |
FVDDSGCNQITVMM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652512; PubChem:CID171362699
|
Local ready
Direct docking supported
|
|
E3L032285
BDB032285
|
US20240059691, Example 1232
Cc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)cncc2[nH]1
|
C21H28N6 364.497000 |
VSXFBJUEISWNHO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652513; PubChem:CID163390377
|
Local ready
Direct docking supported
|
|
E3L032286
BDB032286
|
US20240059691, Example 1237
CN1CCC(CNc2ccc(CNc3cc(C(F)(F)F)cc4[nH]ccc34)cn2)CC1
|
C22H26F3N5 417.479000 |
OSXYYQDMFROKLC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652514; PubChem:CID171362700
|
Local ready
Direct docking supported
|
|
E3L032287
BDB032287
|
US20240059691, Example 1239
CCc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2[nH]1
|
C22H30N6 378.524000 |
ZJZOLACNWITWKJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652515; PubChem:CID171362701
|
Local ready
Direct docking supported
|
|
E3L032288
BDB032288
|
US20240059691, Example 1241
CN1CCC(CNc2ccc(CNc3cc(Cl)cc4[nH]ccc34)cn2)CC1
|
C21H26ClN5 383.927000 |
KAWMSCNPZACOEC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652516; PubChem:CID171362702
|
Local ready
Direct docking supported
|
|
E3L032289
BDB032289
|
US20240059691, Example 1243
CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(Cl)cc34)cn2)CC1
|
C20H25ClN6 384.915000 |
FCXNRNCBQJLWDJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652517; PubChem:CID171362703
|
Local ready
Direct docking supported
|
|
E3L032290
BDB032290
|
US20240059691, Example 1245
CN1CCC(CNc2ccc(CNc3cc(F)c4c(N)nccc4c3)cn2)CC1
|
C22H27FN6 394.498000 |
YZLZPUCHZLJNNM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652518; PubChem:CID171362704
|
Local ready
Direct docking supported
|
|
E3L032291
BDB032291
|
US20240059691, Example 1246
Cc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)c2cc[nH]c2n1
|
C21H28N6 364.497000 |
QNINDNUZAIYODL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652519; PubChem:CID171362705
|
Local ready
Direct docking supported
|
|
E3L032292
BDB032292
|
US20240059691, Example 1248
COC(=O)c1c[nH]c2nccc(NCc3ccc(NCC4CCN(C)CC4)nc3)c12
|
C22H28N6O2 408.506000 |
RYNBOZPKKSEGCY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652520; PubChem:CID171362706
|
Local ready
Direct docking supported
|
|
E3L032293
BDB032293
|
US20240059691, Example 1249
Cc1cc2c(NCc3ccc(OCC4CCN(C)CC4)nc3)ccnc2[nH]1
|
C21H27N5O 365.481000 |
CSOIEWKCRIAOFP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652521; PubChem:CID171362707
|
Local ready
Direct docking supported
|
|
E3L032294
BDB032294
|
US20240059691, Example 1250
COc1nnc2n1CCN(c1ccc(CNc3cccc4c(N)nccc34)cn1)C2
|
C21H22N8O 402.462000 |
VARXLQCHRPURJT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652522; PubChem:CID171362708
|
Local ready
Direct docking supported
|
|
E3L032295
BDB032295
|
US20240059691, Example 1251
CN1CCC(CNc2ccc(CNc3cncc4[nH]c(Cl)cc34)cn2)CC1
|
C20H25ClN6 384.915000 |
HGFUJSGIMRORNA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652523; PubChem:CID163390441
|
Local ready
Direct docking supported
|
|
E3L032296
BDB032296
|
US20240059691, Example 1252
CN1CCC(CNc2ccc(CNc3ccnc4[nH]c(C(N)=O)cc34)cn2)CC1
|
C21H27N7O 393.495000 |
AZSFOLIEUYXOIM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652524; PubChem:CID171362709
|
Local ready
Direct docking supported
|
|
E3L032297
BDB032297
|
US20240059691, Example 1254
Cc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ncnc2[nH]1
|
C20H27N7 365.485000 |
NWYVADAYUACKJE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652525; PubChem:CID171362710
|
Local ready
Direct docking supported
|
|
E3L032298
BDB032298
|
US20240059691, Example 1255
Cc1cnc2[nH]c(Cl)cc2c1NCc1ccc(NCC2CCN(C)CC2)nc1
|
C21H27ClN6 398.942000 |
IBIQIHTZQNFAJZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652526; PubChem:CID171362711
|
Local ready
Direct docking supported
|
|
E3L032299
BDB032299
|
US20240059691, Example 1256
CN1CCC(CNc2ccc(N(C)c3cc(C#N)cc4[nH]ccc34)cn2)CC1
|
C22H26N6 374.492000 |
KMGSVVLZZXBRIS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652527; PubChem:CID171362712
|
Local ready
Direct docking supported
|
|
E3L032300
BDB032300
|
BDBM652528
CN1CCC(CNc2ccc(CNc3ccncc3)cn2)CC1
|
C18H25N5 311.433000 |
HIIDKOYKBYPIAD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM652528; PubChem:CID170928472
|
Local ready
Direct docking supported
|