| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033261
BDB033261
|
BDBM656741
CC(C)N(CCC#N)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccccc4)CO3)CC2)C1
|
C36H44FN7O5S 705.857000 |
BQBSHVNKPCSDSR-WDYNHAJCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656741
|
Local ready
Direct docking supported
|
|
E3L033262
BDB033262
|
BDBM656742
CC(C)N(C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1
|
C30H44FN7O5S 633.791000 |
ZOTSNNFRTMLWOJ-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656742
|
Local ready
Direct docking supported
|
|
E3L033263
BDB033263
|
BDBM656743
CC(C)N(C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1
|
C31H44FN7O5S 645.802000 |
FPZAJOKBUKPSGS-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656743
|
Local ready
Direct docking supported
|
|
E3L033264
BDB033264
|
BDBM656744
CC(C)N(C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1
|
C32H43FN8O5S 670.812000 |
ANFUVMMXXOOAIO-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656744
|
Local ready
Direct docking supported
|
|
E3L033265
BDB033265
|
BDBM656745
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)CC)CO3)CC2)C1)C(C)C
|
C32H48FN7O5S 661.845000 |
HKDHEMNFACVMAD-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656745
|
Local ready
Direct docking supported
|
|
E3L033266
BDB033266
|
BDBM656746
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC)C(C)C)C3)OC1
|
C31H46FN7O5S 647.818000 |
OSPQWLKDXROUMH-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656746
|
Local ready
Direct docking supported
|
|
E3L033267
BDB033267
|
BDBM656747
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NC4CC4)CO3)CC2)C1)C(C)C
|
C32H46FN7O5S 659.829000 |
DACFLTQOIUKJRK-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656747
|
Local ready
Direct docking supported
|
|
E3L033268
BDB033268
|
BDBM656748
CNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C31H46FN7O5S 647.818000 |
IJWVONGYPXPTJF-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656748
|
Local ready
Direct docking supported
|
|
E3L033269
BDB033269
|
BDBM656749
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C32H48FN7O5S 661.845000 |
DCXVGXNNSGNDFQ-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656749
|
Local ready
Direct docking supported
|
|
E3L033270
BDB033270
|
BDBM656750
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC2)C3)OC1
|
C32H46FN7O5S 659.829000 |
ORKVLHTURLOAIP-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656750
|
Local ready
Direct docking supported
|
|
E3L033271
BDB033271
|
BDBM656751
CNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C2CC2)C3)OC1
|
C31H44FN7O5S 645.802000 |
KJMVZTYUUMIEIB-NOZRDPDXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656751
|
Local ready
Direct docking supported
|
|
E3L033272
BDB033272
|
BDBM656752
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C31H44F3N7O5S 683.798000 |
VKOLEKIKNDNQDQ-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656752
|
Local ready
Direct docking supported
|
|
E3L033273
BDB033273
|
BDBM656753
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC4CC4)CO3)CC2)C1
|
C33H46F3N7O5S 709.836000 |
DTYDXXWPGCZGSM-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656753
|
Local ready
Direct docking supported
|
|
E3L033274
BDB033274
|
BDBM656754
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NC4CC4)CO3)CC2)C1
|
C32H44F3N7O5S 695.809000 |
LSPSFZMSJVIHCN-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656754
|
Local ready
Direct docking supported
|
|
E3L033275
BDB033275
|
BDBM656755
CC(C)NS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C32H46F3N7O5S 697.825000 |
JYYKOPLAGXEORN-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656755
|
Local ready
Direct docking supported
|
|
E3L033276
BDB033276
|
BDBM656756
CCCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C32H46F3N7O5S 697.825000 |
MXLPXDDBFJHHBM-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656756
|
Local ready
Direct docking supported
|
|
E3L033277
BDB033277
|
BDBM656757
CNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)(F)F)C(C)C)C3)OC1
|
C30H41F4N7O5S 687.761000 |
RJYJACMRXZUKPF-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656757
|
Local ready
Direct docking supported
|
|
E3L033278
BDB033278
|
BDBM656758
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC(F)(F)F)C(C)C)C3)OC1
|
C31H43F4N7O5S 701.788000 |
YEMBFOICJWXGLL-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656758
|
Local ready
Direct docking supported
|
|
E3L033279
BDB033279
|
BDBM656759
CNS(=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
|
C32H44F3N7O5S 695.809000 |
LCXIKOLNBJWWNI-NOZRDPDXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656759
|
Local ready
Direct docking supported
|
|
E3L033280
BDB033280
|
BDBM656760
CCNS(=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
|
C33H46F3N7O5S 709.836000 |
AQNPBTGJFBSQNV-RSXGOPAZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656760
|
Local ready
Direct docking supported
|