| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060021
BDB060021
|
BDBM50543451
CN1C(=O)C(CCC2CCCCC2)(c2ccccc2)N=C1N
|
C18H25N3O 299.418000 |
MVFBZVZUDDWALG-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50543451; PubChem:CID57843806
|
Local ready
Direct docking supported
|
|
E3L060022
BDB060022
|
BDBM50543452
CC1CCN2C(=O)[C@](c3ccccc3)(C34CC5CC(CC(C5)C3)C4)N=C2N1
|
C23H29N3O 363.505000 |
MOBVMPLDZZTZAT-RZZXHHIXSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50543452; PubChem:CID156021616
|
Local ready
Direct docking supported
|
|
E3L060023
BDB060023
|
BDBM50543453
CCC1CCN2C(=O)[C@](c3ccccc3)(C34CC5CC(CC(C5)C3)C4)N=C2N1
|
C24H31N3O 377.532000 |
NCNHMQSEMXLHCB-KCIYYLIESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50543453; PubChem:CID156022038
|
Local ready
Direct docking supported
|
|
E3L060024
BDB060024
|
BDBM50543518
COc1cc(CCC[C@H]2OC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C
|
C22H22N2O7 426.425000 |
MWAWVTYQASXVJZ-QGZVFWFLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50543518; PubChem:CID9802536
|
Local ready
Direct docking supported
|
|
E3L060025
BDB060025
|
BDBM50543542
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)NC3CCCCC3)cc2)n1
|
C22H25N5O3 407.474000 |
QYAOLXACVZFCGN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543542; PubChem:CID156013903
|
Local ready
Direct docking supported
|
|
E3L060026
BDB060026
|
BDBM50543543
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)N3CCOCC3)cc2)n1
|
C20H21N5O4 395.419000 |
ONWUZLTWJSDCTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543543; PubChem:CID156021300
|
Local ready
Direct docking supported
|
|
E3L060027
BDB060027
|
BDBM50543544
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)N3CCN(C)CC3)cc2)n1
|
C21H24N6O3 408.462000 |
LROSTRBOAUSAAK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543544; PubChem:CID156010180
|
Local ready
Direct docking supported
|
|
E3L060028
BDB060028
|
BDBM50543545
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)Nc3ccccc3)cc2)n1
|
C22H19N5O3 401.426000 |
LOZVEFLIYFPCMV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543545; PubChem:CID156015678
|
Local ready
Direct docking supported
|
|
E3L060029
BDB060029
|
BDBM50543546
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1
|
C22H18ClN5O3 435.871000 |
ABPYUTLLWASPRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543546; PubChem:CID156014146
|
Local ready
Direct docking supported
|
|
E3L060030
BDB060030
|
Aurora Kinases-IN-2
Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)n1
|
C22H18ClN5O3 435.871000 |
RQMVMSIAPOLUTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543547; PubChem:CID156021373
|
Local ready
Direct docking supported
|
|
E3L060031
BDB060031
|
BDBM50543548
Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4ccccc4)cc3)n2)cn1
|
C21H18N6O2 386.415000 |
PYIBJGHLGTVZLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543548; PubChem:CID156019489
|
Local ready
Direct docking supported
|
|
E3L060032
BDB060032
|
BDBM50543549
Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)cn1
|
C21H17ClN6O2 420.860000 |
GVBXGRYWKSAQLW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543549; PubChem:CID156016118
|
Local ready
Direct docking supported
|
|
E3L060033
BDB060033
|
BDBM50543550
Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)n2)cn1
|
C21H17ClN6O2 420.860000 |
WEOGGUARIACEDQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50543550; PubChem:CID156018926
|
Local ready
Direct docking supported
|
|
E3L060034
BDB060034
|
BDBM50543714
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
|
C27H39N5O3 481.641000 |
UHZMCBKFZIOFLI-DVNJHFJZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50543714; PubChem:CID156014804
|
Local ready
Direct docking supported
|
|
E3L060035
BDB060035
|
BDBM50543715
CC[C@@H](C)[C@@H](NC1CCC(F)(F)CC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
|
C29H41F2N5O3 545.675000 |
QOUOKEVURQGALZ-SSFMOWBYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50543715; PubChem:CID156020275
|
Local ready
Direct docking supported
|
|
E3L060036
BDB060036
|
BDBM50543716
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@](C)(C#N)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
|
C29H40N6O2 504.679000 |
VJLLQKAIQIIVTI-PXDJYKHMSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50543716; PubChem:CID156014299
|
Local ready
Direct docking supported
|
|
E3L060037
BDB060037
|
BDBM50543717
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@@](C)(C#N)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
|
C30H35ClN6O4S 611.168000 |
WZWDXJZFTSMMQW-FDNCUVSZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50543717; PubChem:CID156013511
|
Local ready
Direct docking supported
|
|
E3L060038
BDB060038
|
BDBM50543718
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
|
C29H43N5O3 509.695000 |
ZCDZQESCUOZOOO-SVGVZATMSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50543718; PubChem:CID156009931
|
Local ready
Direct docking supported
|
|
E3L060039
BDB060039
|
BDBM50543719
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
|
C28H41N5O3 495.668000 |
HUOMJWOJQZRJRS-SSFMOWBYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50543719; PubChem:CID156020987
|
Local ready
Direct docking supported
|
|
E3L060040
BDB060040
|
BDBM50543720
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1
|
C29H36ClN5O5S 602.157000 |
UCIVAANSXWYOFX-WMHYTQGESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50543720; PubChem:CID156021667
|
Local ready
Direct docking supported
|