| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033161
BDB033161
|
BDBM656638
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@H]2CCOC2)C3)OC1
|
C33H47FN6O6S 674.840000 |
NAUSAAOECGGDCP-PVHODMMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656638
|
Local ready
Direct docking supported
|
|
E3L033162
BDB033162
|
BDBM656639
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C31H43F3N6O5S 668.783000 |
YJOQADLIEPAKSM-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656639
|
Local ready
Direct docking supported
|
|
E3L033163
BDB033163
|
BDBM656640
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CCOC)C(C)C)C3)OC1
|
C32H47FN6O6S 662.829000 |
LMHPKFINBLZBSD-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656640
|
Local ready
Direct docking supported
|
|
E3L033164
BDB033164
|
BDBM656641
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N2[C@H](C)CCC[C@@H]2C)C3)OC1
|
C33H47FN6O5S 658.841000 |
LITSNDRVIPVKPJ-PTJMHOJZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656641
|
Local ready
Direct docking supported
|
|
E3L033165
BDB033165
|
BDBM656642
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NC(=O)NCC(F)(F)F)CO3)CC2)C1)C(C)C
|
C32H43F4N7O4 665.733000 |
CYDBNODNYWFZTM-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656642
|
Local ready
Direct docking supported
|
|
E3L033166
BDB033166
|
BDBM656643
CCCNC(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC)C(C)C)C3)OC1
|
C33H48FN7O4 625.790000 |
MLNCDQCPBWERBE-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656643; PubChem:CID166131431
|
Local ready
Direct docking supported
|
|
E3L033167
BDB033167
|
BDBM656644
CCNC(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC)C(C)C)C3)OC1
|
C32H46FN7O4 611.763000 |
LILGLHDIRSKJKA-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656644; PubChem:CID166131408
|
Local ready
Direct docking supported
|
|
E3L033168
BDB033168
|
BDBM656646
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NC(=O)NCC(F)F)CO3)CC2)C1)C(C)C
|
C32H44F3N7O4 647.743000 |
SWVDOWOZRXIMBN-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656646
|
Local ready
Direct docking supported
|
|
E3L033169
BDB033169
|
BDBM656647
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NC(=O)NCC4CC4)CO3)CC2)C1)C(C)C
|
C34H48FN7O4 637.801000 |
LPPRDZVYQRJOOO-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656647
|
Local ready
Direct docking supported
|
|
E3L033170
BDB033170
|
BDBM656648
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CCC#N)C(C)C)C3)OC1
|
C32H44FN7O5S 657.813000 |
QJSXWHXIKUQDSG-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656648
|
Local ready
Direct docking supported
|
|
E3L033171
BDB033171
|
BDBM656649
CCS(=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
|
C33H45F3N6O5S 694.821000 |
USEPRFPPBLLPPF-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656649
|
Local ready
Direct docking supported
|
|
E3L033172
BDB033172
|
BDBM656650
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccccc4)CO3)CC2)C1)C(C)C
|
C35H45FN6O5S 680.847000 |
ZUFLPJNSFRTERS-IZLXSDGUSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656650; PubChem:CID166131320
|
Local ready
Direct docking supported
|
|
E3L033173
BDB033173
|
BDBM656651
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)[C@@H]2CCOC2)C3)OC1
|
C33H47FN6O6S 674.840000 |
NAUSAAOECGGDCP-PFBJBMPXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656651
|
Local ready
Direct docking supported
|
|
E3L033174
BDB033174
|
BDBM656652
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1
|
C32H43F3N6O5S 680.794000 |
XVYMANPVIHVBKK-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656652
|
Local ready
Direct docking supported
|
|
E3L033175
BDB033175
|
BDBM656653
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2COC2)C3)OC1
|
C32H45FN6O6S 660.813000 |
HGJCTLBYGMQJNQ-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656653
|
Local ready
Direct docking supported
|
|
E3L033176
BDB033176
|
BDBM656654
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1)C(C)C
|
C31H46FN7O5S 647.818000 |
ILHITGQHVPXTCX-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656654
|
Local ready
Direct docking supported
|
|
E3L033177
BDB033177
|
BDBM656655
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](O)C2)C3)OC1
|
C33H47FN6O6S 674.840000 |
VAUSFRXECVKWBW-XDZXDJIYSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656655
|
Local ready
Direct docking supported
|
|
E3L033178
BDB033178
|
BDBM656658
CC(C)N(C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccn(C)n4)CO3)CC2)C1
|
C32H43FN8O5S 670.812000 |
MCXMQJLESNRLRE-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656658
|
Local ready
Direct docking supported
|
|
E3L033179
BDB033179
|
BDBM656659
Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C)C(C)C)C4)OC2)cs1
|
C32H42FN7O5S2 687.864000 |
DVCMLSWCOFJEJV-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656659
|
Local ready
Direct docking supported
|
|
E3L033180
BDB033180
|
BDBM656660
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccc(C)cc4)CO3)CC2)C1)C(C)C
|
C36H47FN6O5S 694.874000 |
ILSOHAILYUYIJX-WDYNHAJCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656660
|
Local ready
Direct docking supported
|