| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059201
BDB059201
|
BDBM50525346
C#CCSc1nc(Sc2nnc(N)s2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C19H16N6O3S3 472.577000 |
WJSSCBOCLYZOAS-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525346; PubChem:CID155551673
|
Local ready
Direct docking supported
|
|
E3L059202
BDB059202
|
BDBM50525347
C#CCSc1nc(Sc2nc(C)cs2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C21H18N4O3S3 470.601000 |
VNEWXPWHIORCIM-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525347; PubChem:CID155534850
|
Local ready
Direct docking supported
|
|
E3L059203
BDB059203
|
BDBM50525348
C#CCSc1nc(Sc2nc3ccccc3s2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C24H18N4O3S3 506.634000 |
XHBZXWWYILGQRT-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525348; PubChem:CID155546159
|
Local ready
Direct docking supported
|
|
E3L059204
BDB059204
|
BDBM50525349
C#CCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc[nH]2)n1
|
C15H9N5S3 355.473000 |
WWCCGKKTOBFZIJ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525349; PubChem:CID155566347
|
Local ready
Direct docking supported
|
|
E3L059205
BDB059205
|
BDBM50525350
C#CCSc1nc(Sc2nnnn2CCN(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1
|
C19H17ClN8S2 456.988000 |
WSVQEZQRWDGIQG-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525350; PubChem:CID155516077
|
Local ready
Direct docking supported
|
|
E3L059206
BDB059206
|
BDBM50525351
CCCSc1nc(Sc2nccs2)c(C#N)c(-c2ccc(Cl)cc2)n1
|
C17H13ClN4S3 404.973000 |
VIMZKBPZLGUURM-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525351; PubChem:CID155527341
|
Local ready
Direct docking supported
|
|
E3L059207
BDB059207
|
BDBM50525352
C#CCSc1nc(Sc2nnnn2C)c(C#N)c(-c2cccs2)n1
|
C14H9N7S3 371.476000 |
ISAIPOHALNOQES-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525352; PubChem:CID155531749
|
Local ready
Direct docking supported
|
|
E3L059208
BDB059208
|
BDBM50525353
C#CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(C#N)c(N2CCCCC2)n1
|
C22H24N4O3S 424.526000 |
JTXNQGFYWXLMLJ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525353; PubChem:CID155529696
|
Local ready
Direct docking supported
|
|
E3L059209
BDB059209
|
Propionamidopropanamide
CCC(=O)N[C@@H](Cc1nc2ccc(C(C)C)cc2s1)C(=O)N[C@H](CNC(=O)CCN1CCOCC1)C1CCCCC1
|
C31H47N5O4S 585.815000 |
CNJKDQGPBAWNRY-IZZNHLLZSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50525354; PubChem:CID131750123
|
Local ready
Direct docking supported
|
|
E3L059210
BDB059210
|
BDBM50525572
Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1
|
C19H19N5O 333.395000 |
LKTNEXPODAWWFM-GHVJWSGMSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50525572
|
Local ready
Direct docking supported
|
|
E3L059211
BDB059211
|
BDBM50525763
COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)CC1=O)c1nc-2c[nH]1
|
C29H30ClN5O4 548.043000 |
YMEHWISYYMKMFO-WOMRJYOTSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50525763; PubChem:CID139592452
|
Local ready
Direct docking supported
|
|
E3L059212
BDB059212
|
BDBM50525764
COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1
|
C28H28ClN5O5 550.015000 |
ZRELHZVMHRERCT-KXHVVKIWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50525764; PubChem:CID71260387
|
Local ready
Direct docking supported
|
|
E3L059213
BDB059213
|
BDBM50525783
CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)c(C(=O)O)c3)N(C)C2=O)cc(Cl)c1O
|
C20H16Cl2N2O5S 467.330000 |
FGKGEXXAYGBGKQ-WPCGGMMTSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50525783
|
Local ready
Direct docking supported
|
|
E3L059214
BDB059214
|
Deferiprone
Cc1c(O)c(=O)ccn1C
|
C7H9NO2 139.154000 |
TZXKOCQBRNJULO-UHFFFAOYSA-N | P41229, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50525976; PubChem:CID2972
|
Local ready
Direct docking supported
|
|
E3L059215
BDB059215
|
3-(2-Morpholin-4-ylanilino)piperidine-2,6-dione
O=C1CCC(Nc2ccccc2N2CCOCC2)C(=O)N1
|
C15H19N3O3 289.335000 |
WBYAHIPMCICAIV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50526581; PubChem:CID146573403
|
Local ready
Direct docking supported
|
|
E3L059216
BDB059216
|
BDBM50526788
CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(O)CCNC[C@H]3O)nc12
|
C22H30N6O2 410.522000 |
OVDMCYNLHNMECD-XMSQKQJNSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50526788; PubChem:CID118329742
|
Local ready
Direct docking supported
|
|
E3L059217
BDB059217
|
BDBM50526789
CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3CCNC[C@H]3O)nc12
|
C22H30N6O 394.523000 |
YCVGLKWJKIKVBI-PKOBYXMFSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50526789; PubChem:CID137349544
|
Local ready
Direct docking supported
|
|
E3L059218
BDB059218
|
BDBM50526794
CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1
|
C31H28ClN7O2 566.065000 |
FONRCZUZCHXWBD-VGOFMYFVSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50526794; PubChem:CID78357763
|
Local ready
Direct docking supported
|
|
E3L059219
BDB059219
|
Ykl-5-124
C=CC(=O)Nc1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1
|
C28H33N7O3 515.618000 |
KPABJHHKKJIDGX-JOCHJYFZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50526795; PubChem:CID121443990
|
Local ready
Direct docking supported
|
|
E3L059220
BDB059220
|
BDBM50526796
CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCCC[C@@H]3O)nc12
|
C23H31N5O 393.535000 |
FEWLFECITKFLDY-QUCCMNQESA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50526796; PubChem:CID118329760
|
Local ready
Direct docking supported
|