| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L025381
BDB025381
|
US11312723, Example 42
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ncccc43)c2C1
|
C16H20N6O3S 376.442000 |
RYVWGZCUNOBKDC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551883; PubChem:CID146805015
|
Local ready
Direct docking supported
|
|
E3L025382
BDB025382
|
US11312723, Example 43
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CC(=O)Nc4ccc(F)cc43)c2N)C1
|
C17H18FN5O4S 407.427000 |
JLMGKQDKNCHMBB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551884; PubChem:CID148078383
|
Local ready
Direct docking supported
|
|
E3L025383
BDB025383
|
US11312723, Example 45
CC(C)c1ccc2c(c1)C(C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C20H27N5O3S 417.535000 |
SYBODYDXBHCADD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551885; PubChem:CID152837870
|
Local ready
Direct docking supported
|
|
E3L025384
BDB025384
|
US11312723, Example 46
CC(C)c1ccc2c(c1)C(C(=O)n1nc(N)c3c1CN(S(C)(=O)=O)CC3)CCN2
|
C20H27N5O3S 417.535000 |
SDPPHXXJFDNRSQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551886; PubChem:CID146828876
|
Local ready
Direct docking supported
|
|
E3L025385
BDB025385
|
US11312723, Example 47
CC(=O)Nc1ccc2c(c1)C(C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C19H24N6O4S 432.506000 |
YXADALZFVYDMRE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551887; PubChem:CID149447756
|
Local ready
Direct docking supported
|
|
E3L025386
BDB025386
|
US11312723, Example 48
CC(=O)Nc1ccc2c(c1)C(C(=O)n1nc(N)c3c1CN(S(C)(=O)=O)CC3)CCN2
|
C19H24N6O4S 432.506000 |
HJHZJABTQVMFSW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551888; PubChem:CID147789351
|
Local ready
Direct docking supported
|
|
E3L025387
BDB025387
|
US11312723, Example 49
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(-c5ccccc5)cc43)c2N)C1
|
C23H25N5O3S 451.552000 |
TVILCJBOXIYLSK-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551889; PubChem:CID146893907
|
Local ready
Direct docking supported
|
|
E3L025388
BDB025388
|
US11312723, Example 50
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(-c5ccccc5)cc43)c2C1
|
C23H25N5O3S 451.552000 |
QQARPEDNHHBOQS-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551890; PubChem:CID146698000
|
Local ready
Direct docking supported
|
|
E3L025389
BDB025389
|
US11312723, Example 51
Cc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H22FN5O3S 407.471000 |
TYDZTFFITPOAIC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551891; PubChem:CID155163279
|
Local ready
Direct docking supported
|
|
E3L025390
BDB025390
|
US11312723, Example 52
Cc1cc(F)cc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2
|
C18H22FN5O3S 407.471000 |
JVZOUCHVUHTXQB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551892; PubChem:CID155163332
|
Local ready
Direct docking supported
|
|
E3L025391
BDB025391
|
US11312723, Example 53
Cc1cc(F)cc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H22FN5O3S 407.471000 |
TYDZTFFITPOAIC-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551893; PubChem:CID155163298
|
Local ready
Direct docking supported
|
|
E3L025392
BDB025392
|
US11312723, Example 54
Cc1cc(F)cc2c1NCC[C@H]2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H22FN5O3S 407.471000 |
TYDZTFFITPOAIC-GFCCVEGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551894; PubChem:CID155163292
|
Local ready
Direct docking supported
|
|
E3L025393
BDB025393
|
US11312723, Example 55
CCc1cc(C)c2c(c1)C(C(=O)n1nc3c(c1N)CCN(S(C)(=O)=O)C3)CCN2
|
C20H27N5O3S 417.535000 |
PONHZIIANACDEL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551895; PubChem:CID146685613
|
Local ready
Direct docking supported
|
|
E3L025394
BDB025394
|
US11312723, Example 56
CCc1cc(C)c2c(c1)C(C(=O)n1nc(N)c3c1CN(S(C)(=O)=O)CC3)CCN2
|
C20H27N5O3S 417.535000 |
PWHZAKJDYDYBCR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551896; PubChem:CID148984070
|
Local ready
Direct docking supported
|
|
E3L025395
BDB025395
|
US11312723, Example 57
CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4c(Cl)cccc43)c2N)C1
|
C17H20ClN5O3S 409.899000 |
FXDAGAYQHYWILW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551897; PubChem:CID147584796
|
Local ready
Direct docking supported
|
|
E3L025396
BDB025396
|
US11312723, Example 58
CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4c(Cl)cccc43)c2C1
|
C17H20ClN5O3S 409.899000 |
XWMVYVKWXLCPDT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551898; PubChem:CID149299722
|
Local ready
Direct docking supported
|
|
E3L025397
BDB025397
|
US11312723, Example 60
CS(=O)(=O)N1CCc2c(nn(C(=O)[C@H]3CCNc4c(Cl)cccc43)c2N)C1
|
C17H20ClN5O3S 409.899000 |
FXDAGAYQHYWILW-NSHDSACASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551900; PubChem:CID155163369
|
Local ready
Direct docking supported
|
|
E3L025398
BDB025398
|
US11312723, Example 61
COc1cccc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H23N5O4S 405.480000 |
VENDHXBGIRNKHA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551901; PubChem:CID155163275
|
Local ready
Direct docking supported
|
|
E3L025399
BDB025399
|
US11312723, Example 62
COc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2
|
C18H23N5O4S 405.480000 |
KHADBRGQACDTPI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551902; PubChem:CID155163300
|
Local ready
Direct docking supported
|
|
E3L025400
BDB025400
|
US11312723, Example 63
COc1cccc2c1NCC[C@@H]2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
|
C18H23N5O4S 405.480000 |
VENDHXBGIRNKHA-LBPRGKRZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM551903; PubChem:CID155163286
|
Local ready
Direct docking supported
|