| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L033321
BDB033321
|
BDBM656801
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)C4CC4)CO3)CC2)C1)C(C)C
|
C32H46FN7O5S 659.829000 |
DILNNYGXUUVGSU-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656801
|
Local ready
Direct docking supported
|
|
E3L033322
BDB033322
|
BDBM656802
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)c4cnn(C)c4)CO3)CC2)C1)C(C)C
|
C33H46FN9O5S 699.854000 |
USXAFXQWOUWYTD-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656802
|
Local ready
Direct docking supported
|
|
E3L033323
BDB033323
|
BDBM656803
CCNS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C31H47FN8O5S 662.833000 |
DGDVNKCQIWEDQV-RPBOFIJWSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656803
|
Local ready
Direct docking supported
|
|
E3L033324
BDB033324
|
BDBM656804
CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC4)CO3)CC2)C1)C(C)C
|
C32H47FN8O5S 674.844000 |
UJAAOVOBMFFFBE-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656804
|
Local ready
Direct docking supported
|
|
E3L033325
BDB033325
|
BDBM656805
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@H]4C)CO3)CC2)C1)C(C)C
|
C34H50FN7O5S 687.883000 |
RIOZVTSLTTYQFH-KZQOYIJHSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656805
|
Local ready
Direct docking supported
|
|
E3L033326
BDB033326
|
BDBM656806
CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@@H]4C)CO3)CC2)C1)C(C)C
|
C34H50FN7O5S 687.883000 |
RIOZVTSLTTYQFH-ITHJLQSDSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656806
|
Local ready
Direct docking supported
|
|
E3L033327
BDB033327
|
BDBM656807
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@@H]4C)CO3)CC2)C1)C(C)C
|
C35H52FN7O5S 701.910000 |
OSPFTWWZGUERNN-MKYKQAKUSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656807
|
Local ready
Direct docking supported
|
|
E3L033328
BDB033328
|
BDBM656808
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@H]4C)CO3)CC2)C1)C(C)C
|
C35H52FN7O5S 701.910000 |
OSPFTWWZGUERNN-CMYDWJSCSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656808
|
Local ready
Direct docking supported
|
|
E3L033329
BDB033329
|
BDBM656809
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@H]4C)CO3)CC2)C1)[C@@H]1CCOC1
|
C36H52FN7O6S 729.920000 |
BCSDNSCDULEQRO-KLFPRNLRSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656809
|
Local ready
Direct docking supported
|
|
E3L033330
BDB033330
|
BDBM656810
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@@H]4C)CO3)CC2)C1)[C@@H]1CCOC1
|
C36H52FN7O6S 729.920000 |
BCSDNSCDULEQRO-XQVPNCLKSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656810
|
Local ready
Direct docking supported
|
|
E3L033331
BDB033331
|
BDBM656811
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@@H]4C)CO3)CC2)C1)C1CCOC1
|
C36H52FN7O6S 729.920000 |
BCSDNSCDULEQRO-TVQAMWBSSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656811
|
Local ready
Direct docking supported
|
|
E3L033332
BDB033332
|
BDBM656812
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@H]4C)CO3)CC2)C1)C1CCOC1
|
C36H52FN7O6S 729.920000 |
BCSDNSCDULEQRO-JAMOSVJXSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656812
|
Local ready
Direct docking supported
|
|
E3L033333
BDB033333
|
BDBM656813
C[C@@H]1COC[C@@H](C)C1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@H]4C)CO3)CC2)C1
|
C36H51FN6O6S 714.905000 |
CLABASFHGRGNJH-LCIPZFHYSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656813
|
Local ready
Direct docking supported
|
|
E3L033334
BDB033334
|
BDBM656814
C[C@@H]1COC[C@@H](C)C1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N4CCC[C@@H]4C)CO3)CC2)C1
|
C36H51FN6O6S 714.905000 |
CLABASFHGRGNJH-WTECOUAGSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656814
|
Local ready
Direct docking supported
|
|
E3L033335
BDB033335
|
BDBM656815
CO[C@H]1CCN(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)C1
|
C35H52FN7O6S 717.909000 |
IPIRELZFDURMQT-ULNSLHSMSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656815
|
Local ready
Direct docking supported
|
|
E3L033336
BDB033336
|
BDBM656816
CO[C@@H]1CCN(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)C1
|
C35H52FN7O6S 717.909000 |
IPIRELZFDURMQT-NLDZOOGBSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656816
|
Local ready
Direct docking supported
|
|
E3L033337
BDB033337
|
BDBM656817
COC[C@H]1CCCN1S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C36H54FN7O6S 731.936000 |
AGCXWYZEBJNHKE-OCBJUFRSSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656817
|
Local ready
Direct docking supported
|
|
E3L033338
BDB033338
|
BDBM656818
COC[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncncc2Oc2ccc(F)cc2C(=O)N(C(C)C)C(C)C)C3)OC1
|
C36H54FN7O6S 731.936000 |
AGCXWYZEBJNHKE-NGDRWEMDSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656818
|
Local ready
Direct docking supported
|
|
E3L033339
BDB033339
|
BDBM656819
CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)N(C)CCCO)CO3)CC2)C1
|
C33H48F3N7O6S 727.851000 |
JROSDNOOBACDFS-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656819
|
Local ready
Direct docking supported
|
|
E3L033340
BDB033340
|
BDBM656820
CCN(C(=O)c1cc(F)ccc1Oc1cnc(C)nc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)CC)CO3)CC2)C1)C(C)C
|
C32H47FN6O5S 646.830000 |
LRUVGLUJXLOGAW-FTJBHMTQSA-N | Q03164 | Menin |
BindingDB
BindingDB:BDBM656820
|
Local ready
Direct docking supported
|