| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033221
BDB033221
|
BDBM656701
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(C)(=O)=O)CO3)CC2)C1
|
C30H41F3N6O5S 654.756000 |
KACHSJDDQGDOPH-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656701
|
Local ready
Direct docking supported
|
|
E3L033222
BDB033222
|
BDBM656702
CCN(CC)S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C33H48F3N7O5S 711.852000 |
RKPVRVHPXDCPIV-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656702
|
Local ready
Direct docking supported
|
|
E3L033223
BDB033223
|
BDBM656703
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CCOCC4)CO3)CC2)C1
|
C34H47F3N6O6S 724.847000 |
KGYJNOKZBKWQQX-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656703
|
Local ready
Direct docking supported
|
|
E3L033224
BDB033224
|
BDBM656704
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1
|
C32H44F3N7O5S 695.809000 |
WXACACBEZGPZCP-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656704
|
Local ready
Direct docking supported
|
|
E3L033225
BDB033225
|
BDBM656705
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1
|
C33H43F3N8O5S 720.819000 |
JYXQIILKIKDZLR-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656705
|
Local ready
Direct docking supported
|
|
E3L033226
BDB033226
|
BDBM656706
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C(C)C)CO3)CC2)C1
|
C33H48F3N7O5S 711.852000 |
KZAPMZSFMWKMHJ-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656706
|
Local ready
Direct docking supported
|
|
E3L033227
BDB033227
|
BDBM656707
CNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C30H42F3N7O5S 669.771000 |
MCXXSUFHDSPLAL-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656707
|
Local ready
Direct docking supported
|
|
E3L033228
BDB033228
|
BDBM656708
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccn(C)n4)CO3)CC2)C1
|
C33H43F3N8O5S 720.819000 |
ZJYVLVIUYKYTIZ-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656708
|
Local ready
Direct docking supported
|
|
E3L033229
BDB033229
|
BDBM656709
Cc1c(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(CC(F)F)C(C)C)C4)OC2)cnn1C
|
C34H45F3N8O5S 734.846000 |
CZSQBZGREGSFSL-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656709
|
Local ready
Direct docking supported
|
|
E3L033230
BDB033230
|
BDBM656710
Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C34H45F3N8O5S 734.846000 |
JUHCTBYBAQXDTD-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656710
|
Local ready
Direct docking supported
|
|
E3L033231
BDB033231
|
BDBM656711
CCn1cc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(CC(F)F)C(C)C)C4)OC2)cn1
|
C34H45F3N8O5S 734.846000 |
FNQJLOBGFLYIEG-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656711
|
Local ready
Direct docking supported
|
|
E3L033232
BDB033232
|
BDBM656712
CC(C)N(CC(F)(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1
|
C31H43F4N7O5S 701.788000 |
POGXDMDHWBOCII-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656712
|
Local ready
Direct docking supported
|
|
E3L033233
BDB033233
|
BDBM656713
CC(C)N(CC(F)(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCOCC4)CO3)CC2)C1
|
C33H45F4N7O6S 743.825000 |
CGERZGHGJMKLBE-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656713
|
Local ready
Direct docking supported
|
|
E3L033234
BDB033234
|
BDBM656714
CC(C)N(CC(F)(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C(C)C)CO3)CC2)C1
|
C32H44F4N6O5S 700.800000 |
ZXXSDGCBQMCGKS-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656714
|
Local ready
Direct docking supported
|
|
E3L033235
BDB033235
|
BDBM656715
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C(C)C)CO3)CC2)C1)C1CC(F)(F)C1
|
C34H47F3N6O5S 708.848000 |
KZJNEYCGKAXQQN-VPUSJEBWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656715
|
Local ready
Direct docking supported
|
|
E3L033236
BDB033236
|
BDBM656716
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1)C1CC(F)(F)C1
|
C34H45F3N6O5S 706.832000 |
YKXOFQPHCXMKCT-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656716
|
Local ready
Direct docking supported
|
|
E3L033237
BDB033237
|
BDBM656717
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(C)(=O)=O)CO3)CC2)C1)C1CC(F)(F)C1
|
C32H43F3N6O5S 680.794000 |
IZSAGKMVZUCUPE-NOZRDPDXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656717
|
Local ready
Direct docking supported
|
|
E3L033238
BDB033238
|
BDBM656718
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1)C1CC(F)(F)C1
|
C33H46F3N7O5S 709.836000 |
YQZKCXHHRQLKLB-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656718
|
Local ready
Direct docking supported
|
|
E3L033239
BDB033239
|
BDBM656719
CCN(CC)S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC(F)(F)C2)C3)OC1
|
C35H50F3N7O5S 737.890000 |
SQPNTAFJYTZQRA-IAPPQJPRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656719
|
Local ready
Direct docking supported
|
|
E3L033240
BDB033240
|
BDBM656720
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4COC4)CO3)CC2)C1)C1CC(F)(F)C1
|
C34H45F3N6O6S 722.831000 |
DDBYIBHJOQZWMW-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656720
|
Local ready
Direct docking supported
|