| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020401
BDB020401
|
US10875851, Example 171
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1
|
C38H52ClN7O3 690.333000 |
WERFNCPRUJRIQG-IIFCFJOHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476515; PubChem:CID146257415
|
Local ready
Direct docking supported
|
|
E3L020402
BDB020402
|
US10875851, Example 172
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN3CCCCC3)NC3CCC(CN)CC3)[C@H](C(=O)NCc3ccc4[nH]cc(Cl)c4c3)C2)O[C@H]1c1ccccc1
|
C42H59ClN8O3 759.440000 |
AICVZODKMZATKE-ULNMZCOSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476516; PubChem:CID146257378
|
Local ready
Direct docking supported
|
|
E3L020403
BDB020403
|
US10875851, Example 173
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cc2cnccc2s1
|
C37H51N7O3S 673.928000 |
BZLJCIDLKRVGKU-KZJZXYEKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476517; PubChem:CID146257326
|
Local ready
Direct docking supported
|
|
E3L020404
BDB020404
|
US10875851, Example 174
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN3CCCCC3)NC3CCC(CN)CC3)[C@H](C(=O)NCc3cc4cnccc4s3)C2)O[C@H]1c1ccccc1
|
C41H58N8O3S 743.035000 |
DQJSNRWXRWDWQC-GNLUFGTRSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476518; PubChem:CID146257436
|
Local ready
Direct docking supported
|
|
E3L020405
BDB020405
|
US10875851, Example 175
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cccc(Cl)c1
|
C36H51ClN6O3 651.296000 |
JDMGVKMELSKODE-NGYBCATJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476519; PubChem:CID146257463
|
Local ready
Direct docking supported
|
|
E3L020406
BDB020406
|
US10875851, Example 176
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN3CCCCC3)NC3CCC(CN)CC3)[C@H](C(=O)NCc3cccc(Cl)c3)C2)O[C@H]1c1ccccc1
|
C40H58ClN7O3 720.403000 |
NSPVUBAPBGIEMV-AWAWBMGQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476520; PubChem:CID146257395
|
Local ready
Direct docking supported
|
|
E3L020407
BDB020407
|
US10875851, Example 177
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN3CCCCC3)NC3CCC(CN)CC3)[C@H](C(=O)NCc3ccc(C(N)=O)s3)C2)O[C@H]1c1ccccc1
|
C39H58N8O4S 735.012000 |
RUBFNAJTZIWJLV-MENHFZJGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476521; PubChem:CID146257482
|
Local ready
Direct docking supported
|
|
E3L020408
BDB020408
|
US10875851, Example 178
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cc(CN)cs1
|
C35H53N7O3S 651.922000 |
ZIKVBJJWZLYUKX-ONSVQELQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476522; PubChem:CID146257614
|
Local ready
Direct docking supported
|
|
E3L020409
BDB020409
|
US10875851, Example 179
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1
|
C37H54ClN7O3 680.338000 |
VKXPQMNAPRQLQO-BJHVCKBZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476523; PubChem:CID146257373
|
Local ready
Direct docking supported
|
|
E3L020410
BDB020410
|
US10875851, Example 180
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1ccc(CN)cc1
|
C37H55N7O3 645.893000 |
QZRMKHLTSVTEGO-UCFUBWGGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476524; PubChem:CID146257376
|
Local ready
Direct docking supported
|
|
E3L020411
BDB020411
|
US10875851, Example 181
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cc(F)c(CN)c(F)c1
|
C37H53F2N7O3 681.873000 |
QRQWUSMHMKJUPZ-KIORWJHZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476525; PubChem:CID146257452
|
Local ready
Direct docking supported
|
|
E3L020412
BDB020412
|
US10875851, Example 182
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CC3CCN(C4CCC(C(N)=O)CC4)CC3)NC3CCC(C(N)=O)CC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C42H60N8O5S 789.060000 |
WTGQRTVTXOGYCB-ILXJSNCNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476526; PubChem:CID146257587
|
Local ready
Direct docking supported
|
|
E3L020413
BDB020413
|
US10875851, Example 183
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CC3CCN(C4CCCCC4)CC3)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C40H58N6O3S 703.010000 |
MZZSMZKJVSVWTK-GTPNLVIDSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476527; PubChem:CID146257514
|
Local ready
Direct docking supported
|
|
E3L020414
BDB020414
|
BDBM476714
C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)NCCN(C)C)C4(C)C)c2)cc1
|
C28H34N8O3 530.633000 |
FYSDPHKGVBRASN-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476714; PubChem:CID121443965
|
Local ready
Direct docking supported
|
|
E3L020415
BDB020415
|
BDBM476716
C=CC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)cc2)c1
|
C34H38N8O3 606.731000 |
TULCSUGHXMJZTO-MUUNZHRXSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476716; PubChem:CID121444080
|
Local ready
Direct docking supported
|
|
E3L020416
BDB020416
|
BDBM476717
CCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)c2)cc1
|
C34H40N8O3 608.747000 |
XPYNKEOVRWOVNF-MUUNZHRXSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476717; PubChem:CID121443961
|
Local ready
Direct docking supported
|
|
E3L020417
BDB020417
|
BDBM476718
C=CC(=O)Nc1cccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)c2)c1
|
C34H38N8O3 606.731000 |
FSHHAFRVNAENTN-MUUNZHRXSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476718; PubChem:CID121443966
|
Local ready
Direct docking supported
|
|
E3L020418
BDB020418
|
BDBM476719
C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)N3CCN(C)CC3)C4(C)C)c2)cc1
|
C29H34N8O3 542.644000 |
OLQDVCOUWQVVHA-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476719; PubChem:CID121444081
|
Local ready
Direct docking supported
|
|
E3L020419
BDB020419
|
BDBM476720
C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)NC(C)CN(C)C)C4(C)C)c2)cc1
|
C29H36N8O3 544.660000 |
WMCXSDYNICXFAU-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM476720; PubChem:CID124134169
|
Local ready
Direct docking supported
|
|
E3L020420
BDB020420
|
BDBM476721
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CO)c3ccccc3)C4(C)C)c2)cc1
|
C35H40N8O4 636.757000 |
YRXUVAAXSAGWPU-XWIHLEKXSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM476721
|
Local ready
Direct docking supported
|