| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025441
BDB025441
|
US11312723, Example 115
COC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C18H21N5O3 355.398000 |
ZJGOMBRCFHSPJH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551948; PubChem:CID149513293
|
Local ready
Direct docking supported
|
|
E3L025442
BDB025442
|
US11312723, Example 116
Nc1c2c(nn1C(=O)C1CCNc3ccccc31)CN(C(=O)OCc1ccccc1)CC2
|
C24H25N5O3 431.496000 |
HMUOHKZKEGEALV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551949; PubChem:CID147807979
|
Local ready
Direct docking supported
|
|
E3L025443
BDB025443
|
US11312723, Example 117
Nc1nn(C(=O)C2CCNc3ccccc32)c2c1CCN(C(=O)OCc1ccccc1)C2
|
C24H25N5O3 431.496000 |
FAJNLUJGBBCROW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551950; PubChem:CID147463535
|
Local ready
Direct docking supported
|
|
E3L025444
BDB025444
|
US11312723, Example 118
Nc1c2c(nn1C(=O)C1CCNc3ccccc31)CNCC2
|
C16H19N5O 297.362000 |
KZSJXASCYFBPAJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551951; PubChem:CID148303933
|
Local ready
Direct docking supported
|
|
E3L025445
BDB025445
|
US11312723, Example 119
CCC(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C19H23N5O2 353.426000 |
LUNPHGMLNIXEHP-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551952; PubChem:CID148415457
|
Local ready
Direct docking supported
|
|
E3L025446
BDB025446
|
US11312723, Example 120
CCC(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C19H23N5O2 353.426000 |
JJVUMSKHHYLWHE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551953; PubChem:CID155316103
|
Local ready
Direct docking supported
|
|
E3L025447
BDB025447
|
US11312723, Example 121
CC(C)C(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C20H25N5O2 367.453000 |
LFCXZDLQLKBHCH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551954; PubChem:CID148332790
|
Local ready
Direct docking supported
|
|
E3L025448
BDB025448
|
US11312723, Example 123
CN(C)C(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C19H24N6O2 368.441000 |
ADNOHCXGLXWXPC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551955; PubChem:CID146922913
|
Local ready
Direct docking supported
|
|
E3L025449
BDB025449
|
US11312723, Example 125
CCS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C18H23N5O3S 389.481000 |
ZGYPVPYGGJDTKG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551956; PubChem:CID149500801
|
Local ready
Direct docking supported
|
|
E3L025450
BDB025450
|
US11312723, Example 126
CCS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C18H23N5O3S 389.481000 |
OAIUWBIEYKNTCR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551957; PubChem:CID148727802
|
Local ready
Direct docking supported
|
|
E3L025451
BDB025451
|
US11312723, Example 127
CC(C)S(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C19H25N5O3S 403.508000 |
MFYYMAIXGFLKSF-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551958; PubChem:CID148476394
|
Local ready
Direct docking supported
|
|
E3L025452
BDB025452
|
US11312723, Example 128
CC(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccccc43)c2C1
|
C19H25N5O3S 403.508000 |
DFPCQDBQQZINQJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551959; PubChem:CID147352083
|
Local ready
Direct docking supported
|
|
E3L025453
BDB025453
|
US11312723, Example 129
CN(C)S(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccccc43)c2N)C1
|
C18H24N6O3S 404.496000 |
XAZUVJFHWIGCJR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551960; PubChem:CID149181261
|
Local ready
Direct docking supported
|
|
E3L025454
BDB025454
|
US11312723, Example 131
CS(=O)(=O)N1CCc2c(nn(C(=O)[C@H]3CCCc4[nH]c(Cl)cc43)c2N)C1
|
C16H20ClN5O3S 397.888000 |
NXEHTAKJDKZTQE-VIFPVBQESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551961; PubChem:CID155643091
|
Local ready
Direct docking supported
|
|
E3L025455
BDB025455
|
US11312723, Example 132
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCCc4[nH]c(Cl)cc43)c2N)C1
|
C16H20ClN5O3S 397.888000 |
NXEHTAKJDKZTQE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551962; PubChem:CID148710716
|
Local ready
Direct docking supported
|
|
E3L025456
BDB025456
|
US11312723, Example 133
CS(=O)(=O)N1CCc2c(N)cn(C(=O)C3CCCc4[nH]c(Cl)cc43)c2C1
|
C17H21ClN4O3S 396.900000 |
PYZHOVSGAUIWKA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551963; PubChem:CID155330678
|
Local ready
Direct docking supported
|
|
E3L025457
BDB025457
|
US11312723, Example 134
CS(=O)(=O)N1CCc2c(nn(C(=O)[C@@H]3CCNc4ccccc43)c2N)C1
|
C17H21N5O3S 375.454000 |
IPIZXXQYPIZSIZ-GFCCVEGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551964; PubChem:CID155316136
|
Local ready
Direct docking supported
|
|
E3L025458
BDB025458
|
US11312723, Example 135
CS(=O)(=O)N1CCc2c(nn(C(=O)[C@H]3CCNc4ccccc43)c2N)C1
|
C17H21N5O3S 375.454000 |
IPIZXXQYPIZSIZ-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551965; PubChem:CID155316114
|
Local ready
Direct docking supported
|
|
E3L025459
BDB025459
|
US11312723, Example 136
CC(C)S(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
|
C19H24FN5O3S 421.498000 |
BWUILGPSOWTOQQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551966; PubChem:CID147166070
|
Local ready
Direct docking supported
|
|
E3L025460
BDB025460
|
US11312723, Example 137
CC(C)S(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
|
C19H24FN5O3S 421.498000 |
GYQFRZHICKUFQN-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551967; PubChem:CID147732137
|
Local ready
Direct docking supported
|