| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L019721
BDB019721
|
US10807959, Example B14
O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(CNC2=NCCN2)c1
|
C18H17Cl3N4O 411.720000 |
XOLLIDAEXAZECO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468881; PubChem:CID146370970
|
Local ready
Direct docking supported
|
|
E3L019722
BDB019722
|
US10807959, Example B15
COc1cc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)cc(OC)c1
|
C20H23FN4O3 386.427000 |
VDAMWMOTTUWVPR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468882; PubChem:CID138753248
|
Local ready
Direct docking supported
|
|
E3L019723
BDB019723
|
US10807959, Example B16
O=C(NCc1cc(Cl)ccn1)c1ccc(F)c(CNC2=NCCN2)c1
|
C17H17ClFN5O 361.808000 |
MFOVFAFYOPSJAC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468883; PubChem:CID146370831
|
Local ready
Direct docking supported
|
|
E3L019724
BDB019724
|
US10807959, Example B17
O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(F)c(CNC2=NCCN2)c1
|
C18H17Cl2FN4O 395.265000 |
DHFKUHSRJROAEG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468884; PubChem:CID146370827
|
Local ready
Direct docking supported
|
|
E3L019725
BDB019725
|
US10807959, Example B18
COc1cc(OC)cc(C(C)NC(=O)c2ccc(F)c(CNC3=NCCN3)c2)c1
|
C21H25FN4O3 400.454000 |
DTISHQXZUPPLFM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468885; PubChem:CID146371004
|
Local ready
Direct docking supported
|
|
E3L019726
BDB019726
|
US10807959, Example B19
COc1ccc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)cc1OC
|
C20H23FN4O3 386.427000 |
LYPQQWFJWPIGAJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468886; PubChem:CID146370842
|
Local ready
Direct docking supported
|
|
E3L019727
BDB019727
|
US10807959, Example B20
Cc1ccnc(C(NC(=O)c2ccc(F)c(CNC3=NCCN3)c2)C2CC2)c1
|
C21H24FN5O 381.455000 |
MQPDOSBDHVOUJT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468887; PubChem:CID146371016
|
Local ready
Direct docking supported
|
|
E3L019728
BDB019728
|
US10807959, Example B21
COc1cc(CNC(=O)c2cccc(CNC3=NCCN3)c2F)cc(OC)c1
|
C20H23FN4O3 386.427000 |
QDOLMNUEDRBING-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468888; PubChem:CID146371031
|
Local ready
Direct docking supported
|
|
E3L019729
BDB019729
|
US10807959, Example B22
COc1ccnc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)c1
|
C18H20FN5O2 357.389000 |
RWJBVMFFPMBPMY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468889; PubChem:CID146370750
|
Local ready
Direct docking supported
|
|
E3L019730
BDB019730
|
US10807959, Example B23
O=C(NCc1ccc(Cl)cn1)c1ccc(F)c(CNC2=NCCN2)c1
|
C17H17ClFN5O 361.808000 |
FICZSYPDVDGUJN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468890; PubChem:CID146370973
|
Local ready
Direct docking supported
|
|
E3L019731
BDB019731
|
US10807959, Example B24
COc1cc(CN(C)C(=O)c2ccc(F)c(CNC3=NCCN3)c2)cc(OC)c1
|
C21H25FN4O3 400.454000 |
HFFBZGRIISJEED-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468891; PubChem:CID146370717
|
Local ready
Direct docking supported
|
|
E3L019732
BDB019732
|
US10807959, Example B25
COc1cccc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)n1
|
C18H20FN5O2 357.389000 |
UUORHVYYAMJBMY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468892; PubChem:CID146370949
|
Local ready
Direct docking supported
|
|
E3L019733
BDB019733
|
US10807959, Example B26
COc1ccc(C(=O)NCc2ccc(F)c(CNC3=NCCN3)c2)cc1Cl
|
C19H20ClFN4O2 390.846000 |
UYOSSTIGEJMPEY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468893; PubChem:CID146388583
|
Local ready
Direct docking supported
|
|
E3L019734
BDB019734
|
US10807959, Example B27
COc1cc(CNC(=O)c2ccc(OC)c(CNC3=NCCN3)c2)cc(OC)c1
|
C21H26N4O4 398.463000 |
GOVNGDRUVCAFTN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468894; PubChem:CID146370752
|
Local ready
Direct docking supported
|
|
E3L019735
BDB019735
|
US10807959, Example B28
COc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1CNC1=NCCN1
|
C19H20Cl2N4O2 407.301000 |
ZXFHPIAATGVMAP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468895; PubChem:CID146370948
|
Local ready
Direct docking supported
|
|
E3L019736
BDB019736
|
US10807959, Example B29
Cc1ccnc(CNC(=O)c2ccc(F)c(CNC3=NCCN3)c2)c1
|
C18H20FN5O 341.390000 |
DKXXBIFGWXWDPQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468896; PubChem:CID146370817
|
Local ready
Direct docking supported
|
|
E3L019737
BDB019737
|
US10807959, Example B30
COc1cc(OC)cc(C(=O)NCc2cc(F)c(F)c(CNC3=NCCN3)c2)c1
|
C20H22F2N4O3 404.417000 |
LHHKQJQQYAPCPQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468897; PubChem:CID146388406
|
Local ready
Direct docking supported
|
|
E3L019738
BDB019738
|
US10807959, Example B31
Cc1cc(C)cc(CNC(=O)c2cc(F)c(F)c(CNC3=NCCN3)c2)c1
|
C20H22F2N4O 372.419000 |
GYOMWZSGMLUJGB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468898; PubChem:CID146370818
|
Local ready
Direct docking supported
|
|
E3L019739
BDB019739
|
US10807959, Example B32
COc1ccc(CNC(=O)c2cc(F)c(F)c(CNC3=NCCN3)c2)cc1Cl
|
C19H19ClF2N4O2 408.836000 |
DQKSHSPITVBLOW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468899; PubChem:CID146370859
|
Local ready
Direct docking supported
|
|
E3L019740
BDB019740
|
US10807959, Example B33
O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(F)c(F)c(CNC2=NCCN2)c1
|
C18H16Cl2F2N4O 413.255000 |
RNRBPSZZSDNMCH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM468900; PubChem:CID146370728
|
Local ready
Direct docking supported
|