| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033301
BDB033301
|
BDBM656781
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1)C1CCOC1
|
C34H47FN6O6S 686.851000 |
VPZNNDBZFCLMMW-HXMJJLHYSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656781
|
Local ready
Direct docking supported
|
|
E3L033302
BDB033302
|
BDBM656782
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1)C1CCOC1
|
C33H48FN7O6S 689.855000 |
ZKQLQFQRVYKYCB-HXMJJLHYSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656782
|
Local ready
Direct docking supported
|
|
E3L033303
BDB033303
|
BDBM656783
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-ULNSLHSMSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656783
|
Local ready
Direct docking supported
|
|
E3L033304
BDB033304
|
BDBM656784
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-PKTNWEFCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656784
|
Local ready
Direct docking supported
|
|
E3L033305
BDB033305
|
BDBM656785
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-PVHODMMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656785
|
Local ready
Direct docking supported
|
|
E3L033306
BDB033306
|
BDBM656786
CC(C)N(CC#N)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1
|
C31H43FN8O5S 658.801000 |
JYVVKRDEIWSVRU-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656786
|
Local ready
Direct docking supported
|
|
E3L033307
BDB033307
|
BDBM656787
CC(C)N(CC#N)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1
|
C32H43FN8O5S 670.812000 |
JDHQNIGCXLXOET-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656787
|
Local ready
Direct docking supported
|
|
E3L033308
BDB033308
|
BDBM656788
CC(C)N(CCC#N)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)C)CO3)CC2)C1
|
C32H45FN8O5S 672.828000 |
OLXVPBZUFSNEJG-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656788
|
Local ready
Direct docking supported
|
|
E3L033309
BDB033309
|
BDBM656789
CC(C)N(CCC#N)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1
|
C33H45FN8O5S 684.839000 |
VYSFBTANXXFRHK-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656789
|
Local ready
Direct docking supported
|
|
E3L033310
BDB033310
|
BDBM656790
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C30H42F3N7O5S 669.771000 |
LSVOCBXVSBEUIT-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656790
|
Local ready
Direct docking supported
|
|
E3L033311
BDB033311
|
BDBM656791
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1
|
C31H42F3N7O5S 681.782000 |
HPBLVHVVFPEWCM-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656791
|
Local ready
Direct docking supported
|
|
E3L033312
BDB033312
|
BDBM656792
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1
|
C32H42F3N9O5S 721.807000 |
WWFIMPYYGPVNTQ-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656792
|
Local ready
Direct docking supported
|
|
E3L033313
BDB033313
|
BDBM656793
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1
|
C30H43F3N8O5S 684.786000 |
FCQVFMBGZNHGFH-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656793
|
Local ready
Direct docking supported
|
|
E3L033314
BDB033314
|
BDBM656794
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1
|
C31H43F3N8O5S 696.797000 |
UKXGHUCSPQQJST-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656794
|
Local ready
Direct docking supported
|
|
E3L033315
BDB033315
|
BDBM656795
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2C(=O)N(CC(F)(F)F)C(C)C)C3)OC1
|
C30H41F4N7O5S 687.761000 |
MYXLRWFGVORCQF-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656795
|
Local ready
Direct docking supported
|
|
E3L033316
BDB033316
|
BDBM656796
CC(C)N(CC(F)(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1
|
C31H41F4N7O5S 699.772000 |
INFGPOKPQSRCQC-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656796
|
Local ready
Direct docking supported
|
|
E3L033317
BDB033317
|
BDBM656797
CC(C)N(CC(F)(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1
|
C32H41F4N9O5S 739.797000 |
WIWBYMUHUNABNT-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656797
|
Local ready
Direct docking supported
|
|
E3L033318
BDB033318
|
BDBM656798
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2C(=O)N(CC(F)(F)F)C(C)C)C3)OC1
|
C30H42F4N8O5S 702.776000 |
CMPCJYHTJFKRHZ-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656798
|
Local ready
Direct docking supported
|
|
E3L033319
BDB033319
|
BDBM656799
CC(C)N(CC(F)(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1
|
C31H42F4N8O5S 714.787000 |
NWZACRAAFLDQQG-RPWUZVMVSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656799
|
Local ready
Direct docking supported
|
|
E3L033320
BDB033320
|
BDBM656800
CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C31H46FN7O5S 647.818000 |
ZECGBAHAZYTJQM-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656800; PubChem:CID167320899
|
Local ready
Direct docking supported
|