| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033361
BDB033361
|
BDBM656841
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CC(O)C4)CO3)CC2)C1
|
C32H44F3N7O6S 711.808000 |
IDWUEJIFEFSTSJ-NOZRDPDXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656841
|
Local ready
Direct docking supported
|
|
E3L033362
BDB033362
|
BDBM656842
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)CCOCc4ccccc4)CO3)CC2)C1
|
C39H52F3N7O6S 803.949000 |
PCEZCRIXRDJYFY-ZWXJPIIXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656842
|
Local ready
Direct docking supported
|
|
E3L033363
BDB033363
|
BDBM656843
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)CCO)CO3)CC2)C1
|
C32H46F3N7O6S 713.824000 |
ZJHVWYWWLDXRSW-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656843
|
Local ready
Direct docking supported
|
|
E3L033364
BDB033364
|
BDBM656844
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(N)(=O)=O)CO3)CC2)C1
|
C29H40F3N7O5S 655.744000 |
RUVWUBJEIODPCB-YADHBBJMSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656844
|
Local ready
Direct docking supported
|
|
E3L033365
BDB033365
|
BDBM656845
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4nn(C)cc4F)CO3)CC2)C1
|
C33H42F4N8O5S 738.809000 |
UAJRAGKAFOFHBJ-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656845
|
Local ready
Direct docking supported
|
|
E3L033366
BDB033366
|
BDBM656846
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CCC(F)F)C(C)C)C3)OC1
|
C32H45F3N6O5S 682.810000 |
XEAWMCCGGIWERZ-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656846
|
Local ready
Direct docking supported
|
|
E3L033367
BDB033367
|
BDBM656847
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC(F)C2)C3)OC1
|
C33H46F2N6O5S 676.831000 |
BHZLRTYTXACNBG-AOZSFPQVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656847
|
Local ready
Direct docking supported
|
|
E3L033368
BDB033368
|
BDBM656848
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC(F)C2)C3)OC1
|
C33H46F2N6O5S 676.831000 |
BHZLRTYTXACNBG-AOZSFPQVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656848
|
Local ready
Direct docking supported
|
|
E3L033369
BDB033369
|
BDBM656849
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC(C(F)F)C2)C3)OC1
|
C34H47F3N6O5S 708.848000 |
IGQKCRXTOFQULL-BLIDEFQGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656849
|
Local ready
Direct docking supported
|
|
E3L033370
BDB033370
|
BDBM656850
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC(C(F)F)C2)C3)OC1
|
C34H47F3N6O5S 708.848000 |
IGQKCRXTOFQULL-BLIDEFQGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656850
|
Local ready
Direct docking supported
|
|
E3L033371
BDB033371
|
BDBM656851
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1)C1COC1
|
C33H45FN6O6S 672.824000 |
QMQUWXUDQHCXCA-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656851
|
Local ready
Direct docking supported
|
|
E3L033372
BDB033372
|
BDBM656852
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1)C1COC1
|
C33H46FN7O6S 687.839000 |
POMRXUQXETWKDW-VPUSJEBWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656852
|
Local ready
Direct docking supported
|
|
E3L033373
BDB033373
|
BDBM656853
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1)C1COC1
|
C32H46FN7O6S 675.828000 |
YHXAOVHOUPTCEW-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656853
|
Local ready
Direct docking supported
|
|
E3L033374
BDB033374
|
BDBM656854
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@@H]2C[C@@H]4CC[C@H]2O4)C3)OC1
|
C35H49FN6O6S 700.878000 |
IKZMHGQXAFKTLI-VILMBOKGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656854
|
Local ready
Direct docking supported
|
|
E3L033375
BDB033375
|
BDBM656855
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC4(COC4)C2)C3)OC1
|
C35H49FN6O6S 700.878000 |
NYPMVRNYHKMVEI-IAPPQJPRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656855
|
Local ready
Direct docking supported
|
|
E3L033376
BDB033376
|
BDBM656856
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@H]2[C@@H]4COC[C@@H]42)C3)OC1
|
C34H47FN6O6S 686.851000 |
STFLXNTWWHVMJM-FUJFPKOMSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656856
|
Local ready
Direct docking supported
|
|
E3L033377
BDB033377
|
BDBM656857
COCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccccc4)CO3)CC2)C1)C(C)C
|
C36H47FN6O6S 710.873000 |
FZUDTGXYENBGNW-WDYNHAJCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656857
|
Local ready
Direct docking supported
|
|
E3L033378
BDB033378
|
BDBM656858
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C[C@@H](O)CO)C(C)C)C3)OC1
|
C32H47FN6O7S 678.828000 |
VUQCTWQNICKMSO-CYXNTTPDSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656858
|
Local ready
Direct docking supported
|
|
E3L033379
BDB033379
|
BDBM656859
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@@H]2CC[C@H]2O)C3)OC1
|
C33H47FN6O6S 674.840000 |
CNZIDJJOIFPSRQ-QEFMBMMRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656859
|
Local ready
Direct docking supported
|
|
E3L033380
BDB033380
|
BDBM656860
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@H]2CC[C@@H]2O)C3)OC1
|
C33H47FN6O6S 674.840000 |
CNZIDJJOIFPSRQ-KNZVSNRJSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656860
|
Local ready
Direct docking supported
|