| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019781
BDB019781
|
US10807959, Example B115
COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(OC)ccc3OC)c2)c1
|
C26H29N5O4 475.549000 |
HXNKXTZUPVGJSO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468941; PubChem:CID146370864
|
Local ready
Direct docking supported
|
|
E3L019782
BDB019782
|
US10807959, Example B116
COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(Cl)ccc3OC)c2)c1
|
C25H26ClN5O3 479.968000 |
JKVKEQANQLVEIS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468942; PubChem:CID146371061
|
Local ready
Direct docking supported
|
|
E3L019783
BDB019783
|
US10807959, Example B124
COc1cc(OC)cc(C(C)NC(=O)c2ccc(OC(C)C)c(CNC3=NCCC3)c2)c1
|
C25H33N3O4 439.556000 |
LTXPBSNXQVNGBR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468943; PubChem:CID146370825
|
Local ready
Direct docking supported
|
|
E3L019784
BDB019784
|
US10807959, Example B125
CC(C)Oc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1CNC1=NCCC1
|
C22H25Cl2N3O2 434.367000 |
LLQPMPAZRYLPOP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468944; PubChem:CID146370872
|
Local ready
Direct docking supported
|
|
E3L019785
BDB019785
|
US10807959, Example B129
Cc1cc(CNC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)nc3C)c2)ccc1Cl
|
C26H26ClFN4O 464.972000 |
YBNBCZJVTIFSTL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468945; PubChem:CID146371168
|
Local ready
Direct docking supported
|
|
E3L019786
BDB019786
|
US10807959, Example C2
O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(CNC2=NCCN2)cc(-c2ccc(F)nc2F)n1
|
C22H18Cl2F2N6O 491.329000 |
QASSMQFVSUYLIL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468946; PubChem:CID146370813
|
Local ready
Direct docking supported
|
|
E3L019787
BDB019787
|
US10807959, Example C20
COc1cc(OC)cc(C(C)NC(=O)c2cc(CNC3=NCCN3)ccn2)c1
|
C20H25N5O3 383.452000 |
IXZVYJPMBFWEGA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468947; PubChem:CID146370995
|
Local ready
Direct docking supported
|
|
E3L019788
BDB019788
|
US10807959, Example C21
COc1cc(OC)cc(C(C)NC(=O)c2cc(CNC3=NCCC3)ccn2)c1
|
C21H26N4O3 382.464000 |
CYKGGYCIEPLUOT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468948; PubChem:CID146370839
|
Local ready
Direct docking supported
|
|
E3L019789
BDB019789
|
US10807959, Example C22
Cc1cc(F)ccc1-c1cc(CNC2=NCCC2)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
|
C25H23Cl2FN4O 485.390000 |
VLDBYDNLSBWNGR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468949; PubChem:CID146370857
|
Local ready
Direct docking supported
|
|
E3L019790
BDB019790
|
US10807959, Example C23
Cc1cc(CNC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)cc3C)n2)ccc1Cl
|
C26H26ClFN4O 464.972000 |
KLAPDQDOOFQMED-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468950; PubChem:CID146370922
|
Local ready
Direct docking supported
|
|
E3L019791
BDB019791
|
US10807959, Example C24
COc1cc(CNC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)cc3C)n2)cc(OC)c1
|
C27H29FN4O3 476.552000 |
DKSNUXWYZDDWQQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468951; PubChem:CID146370951
|
Local ready
Direct docking supported
|
|
E3L019792
BDB019792
|
US10807959, Example C27
COc1cc(CNC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)cc3C(F)(F)F)n2)cc(OC)c1
|
C27H26F4N4O3 530.522000 |
RCVOAEXGASLDFS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468952; PubChem:CID146370780
|
Local ready
Direct docking supported
|
|
E3L019793
BDB019793
|
US10807959, Example C32
Cc1cnc(C(C)NC(=O)c2cc(CNC3=NCCC3)cc(-c3ccc(F)cc3C(F)(F)F)n2)cc1Cl
|
C26H24ClF4N5O 533.957000 |
GGNJNUANYNKKTH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468953; PubChem:CID146370833
|
Local ready
Direct docking supported
|
|
E3L019794
BDB019794
|
US10807959, Example C34
COc1cc(OC)cc(C(C)NC(=O)c2ccnc(CNC3=NCCN3)c2)c1
|
C20H25N5O3 383.452000 |
MIOAPNYQUINMCL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468954; PubChem:CID146370977
|
Local ready
Direct docking supported
|
|
E3L019795
BDB019795
|
US10807959, Example C35
COc1cc(OC)cc(C(C)NC(=O)c2ccnc(CNC3=NCCC3)c2)c1
|
C21H26N4O3 382.464000 |
BUZLFLQVPAQLMZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468955; PubChem:CID146370811
|
Local ready
Direct docking supported
|
|
E3L019796
BDB019796
|
US10815241, Example 3
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C(=O)[C@H]3N[C@H]4CC[C@@H]3C[C@@H]4CC3CC3)C2)C1)C(C)C
|
C34H45FN6O3 604.771000 |
DJHPKVNSQIOFKC-QGVXFSDMSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM470578; PubChem:CID146565056
|
Local ready
Direct docking supported
|
|
E3L019797
BDB019797
|
US10815241, Example 4
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C(=O)[C@H]3N[C@H]4CC[C@@H]3C[C@H]4CC3CC3)CC2)C1)C(C)C
|
C36H49FN6O3 632.825000 |
SKALBDQRURDSRO-RSKUZXBTSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM470579; PubChem:CID146565027
|
Local ready
Direct docking supported
|
|
E3L019798
BDB019798
|
US10815241, Example 5
CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C(=O)[C@H]3N[C@H]4CC[C@@H]3C[C@H]4CC3CC3)C2)C1)C(C)C
|
C34H45FN6O3 604.771000 |
DJHPKVNSQIOFKC-MNRJJZRPSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM470580; PubChem:CID146565072
|
Local ready
Direct docking supported
|
|
E3L019799
BDB019799
|
Dsp-5336
C=C1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCC3(CC1)CN(c1ncncc1Oc1ccc(F)cc1C(=O)N(C(C)C)C(C)C)C3)N2
|
C33H43FN6O3 590.744000 |
JQHJEDMMWUIYCE-FVVBACEJSA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM470581; PubChem:CID146430058
|
Local ready
Direct docking supported
|
|
E3L019800
BDB019800
|
US10815241, Example 7
C=C1C[C@@H]2CC[C@H]1[C@@H](C(=O)N1CC3(C1)CN(c1ncncc1Oc1ccc(F)cc1C(=O)N(C(C)C)C(C)C)C3)N2
|
C31H39FN6O3 562.690000 |
PCKBGGHSHIIDPV-OBTVHEKISA-N | Q03164 | Menin |
BindingDB, PubChem
BindingDB:BDBM470582; PubChem:CID146565064
|
Local ready
Direct docking supported
|