| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033201
BDB033201
|
BDBM656681
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NC)CO3)CC2)C1)C(C)C
|
C30H44FN7O5S 633.791000 |
NCDQHYMLQJWUPI-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656681
|
Local ready
Direct docking supported
|
|
E3L033202
BDB033202
|
BDBM656682
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1)C(C)C
|
C32H48FN7O5S 661.845000 |
GHCAIWIODACSGN-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656682
|
Local ready
Direct docking supported
|
|
E3L033203
BDB033203
|
BDBM656683
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCOCC4)CO3)CC2)C1)C(C)C
|
C34H50FN7O6S 703.882000 |
WIOVCRDVAUVZGY-IZLXSDGUSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656683; PubChem:CID167320840
|
Local ready
Direct docking supported
|
|
E3L033204
BDB033204
|
BDBM656684
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CCOCC4)CO3)CC2)C1)C(C)C
|
C35H51FN6O6S 702.894000 |
NUJQNIYPKJMPJP-IZLXSDGUSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656684; PubChem:CID169607198
|
Local ready
Direct docking supported
|
|
E3L033205
BDB033205
|
BDBM656685
Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)OC2)o1
|
C34H46FN7O6S 699.850000 |
KNHUSPCFQIPKBF-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656685
|
Local ready
Direct docking supported
|
|
E3L033206
BDB033206
|
BDBM656686
Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)OC2)cs1
|
C34H46FN7O5S2 715.918000 |
LHSGWPWPOAAVIC-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656686
|
Local ready
Direct docking supported
|
|
E3L033207
BDB033207
|
BDBM656687
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4Cl)CO3)CC2)C1)C(C)C
|
C34H46ClFN8O5S 733.311000 |
LUMXDHAYLUXDBP-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656687
|
Local ready
Direct docking supported
|
|
E3L033208
BDB033208
|
BDBM656688
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C5CC5)c4)CO3)CC2)C1)C(C)C
|
C36H49FN8O5S 724.904000 |
OHGPNESPCHJZCW-PXJZQJOASA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656688
|
Local ready
Direct docking supported
|
|
E3L033209
BDB033209
|
BDBM656689
Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)OC2)s1
|
C34H46FN7O5S2 715.918000 |
BUMBKTLPBAZDEC-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656689
|
Local ready
Direct docking supported
|
|
E3L033210
BDB033210
|
BDBM656690
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C(F)F)c4)CO3)CC2)C1)C(C)C
|
C34H45F3N8O5S 734.846000 |
KMPLQKHKGNOGCT-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656690
|
Local ready
Direct docking supported
|
|
E3L033211
BDB033211
|
BDBM656691
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1)C(C)C
|
C34H47FN8O5S 698.866000 |
GECBNDKCSIOOHE-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656691
|
Local ready
Direct docking supported
|
|
E3L033212
BDB033212
|
BDBM656692
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccn(C)n4)CO3)CC2)C1)C(C)C
|
C34H47FN8O5S 698.866000 |
IZWJEUARGRTQPY-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656692
|
Local ready
Direct docking supported
|
|
E3L033213
BDB033213
|
BDBM656693
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1)C(C)C
|
C33H48FN7O5S 673.856000 |
OOKUJZSMDJARDW-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656693
|
Local ready
Direct docking supported
|
|
E3L033214
BDB033214
|
BDBM656694
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C(C)C)CO3)CC2)C1)C(C)C
|
C34H52FN7O5S 689.899000 |
RLWDMOQNRCYXSM-IZLXSDGUSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656694
|
Local ready
Direct docking supported
|
|
E3L033215
BDB033215
|
BDBM656695
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(N)(=O)=O)CO3)CC2)C1)C(C)C
|
C30H44FN7O5S 633.791000 |
WQSHZPVVRLHCOW-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656695; PubChem:CID167320981
|
Local ready
Direct docking supported
|
|
E3L033216
BDB033216
|
BDBM656696
Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)OC2)co1
|
C34H46FN7O6S 699.850000 |
ZEIMTLOZJCRTOR-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656696
|
Local ready
Direct docking supported
|
|
E3L033217
BDB033217
|
BDBM656697
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccc(=O)n(C)c4)CO3)CC2)C1)C(C)C
|
C36H48FN7O6S 725.888000 |
DXNDLLSTMYYGRS-IZLXSDGUSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656697
|
Local ready
Direct docking supported
|
|
E3L033218
BDB033218
|
BDBM656698
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1)C1CC1
|
C32H46FN7O5S 659.829000 |
NNBGLMKUVRWQQJ-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656698
|
Local ready
Direct docking supported
|
|
E3L033219
BDB033219
|
BDBM656699
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCOCC4)CO3)CC2)C1
|
C33H46F3N7O6S 725.835000 |
DZCQMGYMXQHZQZ-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656699
|
Local ready
Direct docking supported
|
|
E3L033220
BDB033220
|
BDBM656700
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1
|
C31H44F3N7O5S 683.798000 |
PCHBEVOOYWRRFQ-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656700
|
Local ready
Direct docking supported
|