| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033281
BDB033281
|
BDBM656761
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1)C1CC(F)(F)C1
|
C35H45F3N8O5S 746.857000 |
WHPIQUUEWZLCEC-VPUSJEBWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656761
|
Local ready
Direct docking supported
|
|
E3L033282
BDB033282
|
BDBM656762
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC(F)(F)F)CO3)CC2)C1
|
C32H43F4N7O6S 729.798000 |
SLANMZSAFQMUJB-MFYODDQASA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656762
|
Local ready
Direct docking supported
|
|
E3L033283
BDB033283
|
BDBM656763
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC4CC4)CO3)CC2)C1
|
C34H48FN7O6S 701.866000 |
IPSRYACULSMGIV-CDORBJOZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656763
|
Local ready
Direct docking supported
|
|
E3L033284
BDB033284
|
BDBM656764
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NC4CC4)CO3)CC2)C1
|
C33H46FN7O6S 687.839000 |
LRTWUQLVWLKXQH-CIMSBJEKSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656764
|
Local ready
Direct docking supported
|
|
E3L033285
BDB033285
|
BDBM656765
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-RYJQUDHMSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656765
|
Local ready
Direct docking supported
|
|
E3L033286
BDB033286
|
BDBM656766
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-PTJMHOJZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656766
|
Local ready
Direct docking supported
|
|
E3L033287
BDB033287
|
BDBM656767
C[C@@H]1COC[C@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC(F)(F)F)CO3)CC2)C1
|
C32H43F4N7O6S 729.798000 |
SLANMZSAFQMUJB-OUMDNPPYSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656767
|
Local ready
Direct docking supported
|
|
E3L033288
BDB033288
|
BDBM656768
C[C@@H]1COC[C@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NC4CC4)CO3)CC2)C1
|
C33H46FN7O6S 687.839000 |
LRTWUQLVWLKXQH-GJHDXROTSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656768
|
Local ready
Direct docking supported
|
|
E3L033289
BDB033289
|
BDBM656769
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1)[C@@H]1CCOC1
|
C34H47FN6O6S 686.851000 |
VPZNNDBZFCLMMW-PFBJBMPXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656769
|
Local ready
Direct docking supported
|
|
E3L033290
BDB033290
|
BDBM656770
CCN(CC)S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@@H]2CCOC2)C3)OC1
|
C35H52FN7O6S 717.909000 |
WVALIJGALFOXEN-NLDZOOGBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656770
|
Local ready
Direct docking supported
|
|
E3L033291
BDB033291
|
BDBM656771
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(C)(=O)=O)CO3)CC2)C1)[C@@H]1CCOC1
|
C32H45FN6O6S 660.813000 |
NWNXZFZNYSZRMN-CYXNTTPDSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656771
|
Local ready
Direct docking supported
|
|
E3L033292
BDB033292
|
BDBM656772
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@@H]1CCOC1
|
C33H48FN7O6S 689.855000 |
ZKQLQFQRVYKYCB-PFBJBMPXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656772
|
Local ready
Direct docking supported
|
|
E3L033293
BDB033293
|
BDBM656773
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-FCEKVYKBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656773
|
Local ready
Direct docking supported
|
|
E3L033294
BDB033294
|
BDBM656774
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCCC4)CO3)CC2)C1)[C@@H]1CCOC1
|
C35H50FN7O6S 715.893000 |
MENWKQHKOUQOMI-NLDZOOGBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656774
|
Local ready
Direct docking supported
|
|
E3L033295
BDB033295
|
BDBM656775
CCN(C)S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@@H]2CCOC2)C3)OC1
|
C34H50FN7O6S 703.882000 |
KJEKACGXDLWEKT-FCEKVYKBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656775
|
Local ready
Direct docking supported
|
|
E3L033296
BDB033296
|
BDBM656776
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC(F)(F)F)CO3)CC2)C1)[C@@H]1CCOC1
|
C33H45F4N7O6S 743.825000 |
PBESVYMYWKFCRI-CYXNTTPDSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656776
|
Local ready
Direct docking supported
|
|
E3L033297
BDB033297
|
BDBM656777
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@@H]2CCOC2)C3)OC1
|
C33H48FN7O6S 689.855000 |
ZOOBAEHOQFCBPU-PFBJBMPXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656777
|
Local ready
Direct docking supported
|
|
E3L033298
BDB033298
|
BDBM656778
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(C)(=O)=O)CO3)CC2)C1)[C@H]1CCOC1
|
C32H45FN6O6S 660.813000 |
NWNXZFZNYSZRMN-ZNZIZOMTSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656778
|
Local ready
Direct docking supported
|
|
E3L033299
BDB033299
|
BDBM656779
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-PKTNWEFCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656779
|
Local ready
Direct docking supported
|
|
E3L033300
BDB033300
|
BDBM656780
CCN(CC)S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@H]2CCOC2)C3)OC1
|
C35H52FN7O6S 717.909000 |
WVALIJGALFOXEN-ULNSLHSMSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656780
|
Local ready
Direct docking supported
|