| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033241
BDB033241
|
BDBM656721
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCOCC4)CO3)CC2)C1)C1CC(F)(F)C1
|
C35H48F3N7O6S 751.873000 |
FTAWOJQCELCDIG-IAPPQJPRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656721
|
Local ready
Direct docking supported
|
|
E3L033242
BDB033242
|
BDBM656722
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(N)(=O)=O)CO3)CC2)C1)C1CC(F)(F)C1
|
C31H42F3N7O5S 681.782000 |
YIMDFKVFXLAQAM-VWNXMTODSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656722
|
Local ready
Direct docking supported
|
|
E3L033243
BDB033243
|
BDBM656723
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1)C1CC(F)(F)C1
|
C34H46F3N7O5S 721.847000 |
LUXHZRCLJLSBBQ-VPUSJEBWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656723
|
Local ready
Direct docking supported
|
|
E3L033244
BDB033244
|
BDBM656724
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)C1CC(F)(F)C1
|
C35H50F3N7O5S 737.890000 |
JKKXSTIQWZUERR-IAPPQJPRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656724
|
Local ready
Direct docking supported
|
|
E3L033245
BDB033245
|
BDBM656725
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccccc4)CO3)CC2)C1
|
C36H45FN6O6S 708.857000 |
HMNPTRURHQZMCE-HTCHUFIESA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656725
|
Local ready
Direct docking supported
|
|
E3L033246
BDB033246
|
BDBM656726
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1
|
C33H46FN7O6S 687.839000 |
XOJCAMRCIZJWLU-RSQMYVMBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656726
|
Local ready
Direct docking supported
|
|
E3L033247
BDB033247
|
BDBM656727
Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N3[C@H](C)COC[C@H]3C)C4)OC2)cs1
|
C34H44FN7O6S2 729.901000 |
LJOWUMKBSDHLTM-CIMSBJEKSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656727
|
Local ready
Direct docking supported
|
|
E3L033248
BDB033248
|
BDBM656728
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1
|
C32H46FN7O6S 675.828000 |
KUFLPGFBXYVEQE-YUEVXQQWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656728
|
Local ready
Direct docking supported
|
|
E3L033249
BDB033249
|
BDBM656729
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCCC4)CO3)CC2)C1
|
C34H48FN7O6S 701.866000 |
QSDXUKKMZGUKKZ-KECVVUEUSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656729
|
Local ready
Direct docking supported
|
|
E3L033250
BDB033250
|
BDBM656730
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N2[C@H](C)COC[C@H]2C)C3)OC1
|
C32H46FN7O6S 675.828000 |
ABJAWNVVHMVBOD-YUEVXQQWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656730
|
Local ready
Direct docking supported
|
|
E3L033251
BDB033251
|
BDBM656731
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1
|
C34H45FN8O6S 712.849000 |
OKCTXZAPSHVLDI-RSQMYVMBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656731
|
Local ready
Direct docking supported
|
|
E3L033252
BDB033252
|
BDBM656732
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccn(C)n4)CO3)CC2)C1
|
C34H45FN8O6S 712.849000 |
XKBFVJSGNNFMFP-RSQMYVMBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656732
|
Local ready
Direct docking supported
|
|
E3L033253
BDB033253
|
BDBM656733
CCN(C)S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N2[C@H](C)COC[C@H]2C)C3)OC1
|
C33H48FN7O6S 689.855000 |
HHBGPTTVPXRMMJ-RSQMYVMBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656733
|
Local ready
Direct docking supported
|
|
E3L033254
BDB033254
|
BDBM656734
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C4CC4)CO3)CC2)C1
|
C34H48FN7O6S 701.866000 |
BBLLYMLVTMCREX-ICCROSPGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656734
|
Local ready
Direct docking supported
|
|
E3L033255
BDB033255
|
BDBM656735
C[C@@H]1COC[C@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccccc4)CO3)CC2)C1
|
C36H45FN6O6S 708.857000 |
HMNPTRURHQZMCE-GEEWNISJSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656735
|
Local ready
Direct docking supported
|
|
E3L033256
BDB033256
|
BDBM656736
Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N3[C@H](C)COC[C@@H]3C)C4)OC2)cs1
|
C34H44FN7O6S2 729.901000 |
LJOWUMKBSDHLTM-GJHDXROTSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656736
|
Local ready
Direct docking supported
|
|
E3L033257
BDB033257
|
BDBM656737
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C(C)C)CO3)CC2)C1)[C@@H]1CCOC1
|
C34H49FN6O6S 688.867000 |
UISYJTVAUXGYAM-FCEKVYKBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656737
|
Local ready
Direct docking supported
|
|
E3L033258
BDB033258
|
BDBM656738
Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)[C@@H]3CCOC3)C4)OC2)cs1
|
C35H46FN7O6S2 743.928000 |
YLHFDKHOQKWTKF-FCEKVYKBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656738
|
Local ready
Direct docking supported
|
|
E3L033259
BDB033259
|
BDBM656739
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1)[C@H]1CCOC1
|
C34H48FN7O6S 701.866000 |
IABQAEYWNYFOHB-PKTNWEFCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656739
|
Local ready
Direct docking supported
|
|
E3L033260
BDB033260
|
BDBM656740
Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C3CCOC3)C4)OC2)cs1
|
C35H46FN7O6S2 743.928000 |
YLHFDKHOQKWTKF-UNQNHFTRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656740
|
Local ready
Direct docking supported
|