| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033341
BDB033341
|
BDBM656821
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4ccc(=O)[nH]c4C)CO3)CC2)C1)C(C)C
|
C35H46FN7O6S 711.861000 |
HJGLSXLRCBWCQU-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656821
|
Local ready
Direct docking supported
|
|
E3L033342
BDB033342
|
BDBM656822
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4c[nH]c(=O)c(C)c4)CO3)CC2)C1)C(C)C
|
C35H46FN7O6S 711.861000 |
ULNDKGIOGWDSSJ-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656822
|
Local ready
Direct docking supported
|
|
E3L033343
BDB033343
|
BDBM656823
C=CS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(CC)C(C)C)C3)OC1
|
C31H43FN6O5S 630.787000 |
MHPWAFANLLZMDQ-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM656823; PubChem:CID166131464
|
Local ready
Direct docking supported
|
|
E3L033344
BDB033344
|
BDBM656824
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)CCN(C)C)CO3)CC2)C1)C(C)C
|
C33H50FN7O5S 675.872000 |
QURMPJZYPCSXKN-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656824
|
Local ready
Direct docking supported
|
|
E3L033345
BDB033345
|
BDBM656825
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CC5(CCO5)C4)CO3)CC2)C1)C(C)C
|
C35H50FN7O6S 715.893000 |
GCTJTWMYFFQMJU-IZLXSDGUSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656825
|
Local ready
Direct docking supported
|
|
E3L033346
BDB033346
|
BDBM656826
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CC5(COC5)C4)CO3)CC2)C1)C(C)C
|
C35H50FN7O6S 715.893000 |
SARWVVBTQQEELX-IZLXSDGUSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656826
|
Local ready
Direct docking supported
|
|
E3L033347
BDB033347
|
BDBM656827
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CC5(CCOC5)C4)CO3)CC2)C1)C(C)C
|
C36H52FN7O6S 729.920000 |
AXZBUQXZHHAPFC-WDYNHAJCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656827
|
Local ready
Direct docking supported
|
|
E3L033348
BDB033348
|
BDBM656828
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CC5COCC5C4)CO3)CC2)C1)C(C)C
|
C36H52FN7O6S 729.920000 |
BWRAVOQDRZRWBE-UUDNOGFPSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656828
|
Local ready
Direct docking supported
|
|
E3L033349
BDB033349
|
BDBM656829
CCS(=N)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C32H48FN7O4S 645.846000 |
FWTQLKNKXQFTRF-KYZSFBIYSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656829
|
Local ready
Direct docking supported
|
|
E3L033350
BDB033350
|
BDBM656830
CC[S@@](=N)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C32H48FN7O4S 645.846000 |
FWTQLKNKXQFTRF-MJNNVLIESA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656830
|
Local ready
Direct docking supported
|
|
E3L033351
BDB033351
|
BDBM656831
CC[S@](=N)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C32H48FN7O4S 645.846000 |
FWTQLKNKXQFTRF-KYIFXVBTSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656831
|
Local ready
Direct docking supported
|
|
E3L033352
BDB033352
|
BDBM656832
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=N)(=O)c4ccccc4)CO3)CC2)C1)C(C)C
|
C36H48FN7O4S 693.890000 |
SOKCKXLHTIYBRB-JYRJTNTRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656832
|
Local ready
Direct docking supported
|
|
E3L033353
BDB033353
|
BDBM656833
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](N[S@@](=N)(=O)c4ccccc4)CO3)CC2)C1)C(C)C
|
C36H48FN7O4S 693.890000 |
SOKCKXLHTIYBRB-BONDPJKJSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656833
|
Local ready
Direct docking supported
|
|
E3L033354
BDB033354
|
BDBM656834
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](N[S@](=N)(=O)c4ccccc4)CO3)CC2)C1)C(C)C
|
C36H48FN7O4S 693.890000 |
SOKCKXLHTIYBRB-FRJHWTOWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656834
|
Local ready
Direct docking supported
|
|
E3L033355
BDB033355
|
BDBM656835
CCS(=O)(=NC)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C33H50FN7O4S 659.873000 |
DOXGBHUNCCNAIT-IOZVOSBUSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656835
|
Local ready
Direct docking supported
|
|
E3L033356
BDB033356
|
BDBM656836
CN=S(=O)(N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1)c1ccccc1
|
C37H50FN7O4S 707.917000 |
IEUPXSMOCGCVNL-VOFOYOKKSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656836
|
Local ready
Direct docking supported
|
|
E3L033357
BDB033357
|
BDBM656837
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=N)(=O)C4CC4)CO3)CC2)C1)C(C)C
|
C33H48FN7O4S 657.857000 |
JUELMTVFEPZZEW-ZOZFQLNZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656837
|
Local ready
Direct docking supported
|
|
E3L033358
BDB033358
|
BDBM656838
Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](CN3CCC4(CC3)CN(c3ncncc3Oc3ccc(F)cc3C(=O)N(C(C)C)C(C)C)C4)OC2)[nH]1
|
C34H47FN8O5S 698.866000 |
YZVPHEVMWNMECN-SXOMAYOGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656838
|
Local ready
Direct docking supported
|
|
E3L033359
BDB033359
|
BDBM656839
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC(F)F)CO3)CC2)C1
|
C31H42F5N7O5S 719.778000 |
OYEKSXYBMIXRLP-PKTZIBPZSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656839
|
Local ready
Direct docking supported
|
|
E3L033360
BDB033360
|
BDBM656840
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CC(OCc5ccccc5)C4)CO3)CC2)C1
|
C39H50F3N7O6S 801.933000 |
XTEPITDEFHXYEX-JSOSNVBQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656840
|
Local ready
Direct docking supported
|