| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008101
BDB008101
|
Gsk-J1
O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1
|
C22H23N5O2 389.459000 |
AVZCPICCWKMZDT-UHFFFAOYSA-N | P29375, P41229, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM195611; PubChem:CID56963315
|
Local ready
Direct docking supported
|
|
E3L008102
BDB008102
|
BDBM195612
O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12
|
C17H13N5O2 319.324000 |
ZTYRLXUTLYBVHH-UHFFFAOYSA-N | P29375, P41229, Q9BY66 | Lysine-specific demethylase 5C, Lysine-specific demethylase 5A, Lysine-specific demethylase 5D |
BindingDB, PubChem
BindingDB:BDBM195612; PubChem:CID135567128
|
Local ready
Direct docking supported
|
|
E3L008103
BDB008103
|
BDBM199180
CCc1ccc(C(=O)NCCCCC(NC(=O)C(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)COC2CC(C)CCC2C(C)C)C(N)=O)cc1
|
C46H62F2N5O9P 897.998000 |
DZZMIHDOJVEPRL-UHFFFAOYSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB
BindingDB:BDBM199180
|
Local ready
Direct docking supported
|
|
E3L008104
BDB008104
|
4-(4-Carbamoylphenoxy)benzamide
NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
|
C14H12N2O3 256.261000 |
XZRCQWLPMXFGHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM199181; PubChem:CID236501
|
Local ready
Direct docking supported
|
|
E3L008105
BDB008105
|
Rki-1447
O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1
|
C16H14N4O2S 326.381000 |
GDVRVPIXWXOKQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM199250; PubChem:CID60138149
|
Local ready
Direct docking supported
|
|
E3L008106
BDB008106
|
BDBM200012
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H38N4O4 578.713000 |
UCIXIQRCAGGOJY-AJQTZOPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200012; PubChem:CID71185716
|
Local ready
Direct docking supported
|
|
E3L008107
BDB008107
|
BDBM200094
CCOc1ccc([C@H](C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)c2ccccc2)cc1
|
C36H40N4O4 592.740000 |
SWVKHIKGEAHJDC-UZNNEEJFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200094; PubChem:CID122199210
|
Local ready
Direct docking supported
|
|
E3L008108
BDB008108
|
BDBM200101
CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C36H40N4O4 592.740000 |
PQYXYUJVSKCKFL-JHOUSYSJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200101; PubChem:CID71185979
|
Local ready
Direct docking supported
|
|
E3L008109
BDB008109
|
BDBM200102
CCOc1ccc(C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H36Cl2N4O4 647.603000 |
MOIZOCHEDGLANE-AJQTZOPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200102; PubChem:CID71185695
|
Local ready
Direct docking supported
|
|
E3L008110
BDB008110
|
BDBM200103
CCOc1ccc(C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H36Cl2N4O4 647.603000 |
SLIWSHXFSMCYGU-AJQTZOPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200103; PubChem:CID90302844
|
Local ready
Direct docking supported
|
|
E3L008111
BDB008111
|
BDBM200104
CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C36H40N4O5 608.739000 |
HODNEEJOSRVWQT-JHOUSYSJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200104; PubChem:CID71185996
|
Local ready
Direct docking supported
|
|
E3L008112
BDB008112
|
BDBM200105
CCOc1ccc(C[C@@H](NC(=O)/C=C/c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C37H40N4O4 604.751000 |
CQESEBINUPDTGP-FCVYXQAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200105; PubChem:CID89350829
|
Local ready
Direct docking supported
|
|
E3L008113
BDB008113
|
BDBM200166
CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2cccs2)C(=O)NCc2ccc(CN)cc2)cc1
|
C32H35N5O4S 585.730000 |
DOEHDNHECCZREA-WDYNHAJCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200166; PubChem:CID71499431
|
Local ready
Direct docking supported
|
|
E3L008114
BDB008114
|
BDBM200191
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(C)c2)cc1
|
C36H40N4O4 592.740000 |
ZSQXKFNZFSFYRJ-JHOUSYSJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200191; PubChem:CID71499478
|
Local ready
Direct docking supported
|
|
E3L008115
BDB008115
|
BDBM200192
CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
|
C30H34N6O4S2 606.774000 |
HDDOGAGGUYGJLQ-FTJBHMTQSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200192
|
Local ready
Direct docking supported
|
|
E3L008116
BDB008116
|
BDBM200193
CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
|
C30H32ClN5O4S2 626.204000 |
PMTPLZNRQDJDQN-FTJBHMTQSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200193
|
Local ready
Direct docking supported
|
|
E3L008117
BDB008117
|
BDBM200194
CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
|
C33H37N5O4S 599.757000 |
XXXMZDCXONCQMR-IHLOFXLRSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200194; PubChem:CID71499498
|
Local ready
Direct docking supported
|
|
E3L008118
BDB008118
|
BDBM200195
CCOc1ccc(C[C@@H](NC(=O)c2[nH]ccc2C)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
|
C36H39N5O4S 637.806000 |
GCTFSBZKSCJATJ-JSOSNVBQSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200195
|
Local ready
Direct docking supported
|
|
E3L008119
BDB008119
|
BDBM200197
CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
|
C37H39N5O5S2 697.883000 |
GKOAHNGAVMWGNA-ZWXJPIIXSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200197
|
Local ready
Direct docking supported
|
|
E3L008120
BDB008120
|
BDBM200198
CCOc1ccc(C[C@@H](NC(=O)c2cccc(C)c2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H39N5O4 593.728000 |
SYHVZEPQLZQVQE-AJQTZOPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200198; PubChem:CID71499155
|
Local ready
Direct docking supported
|