| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062721
BDB062721
|
BDBM50605341
Cc1nccn1Cc1cc2c(c(-c3cn(C)nc3C(F)(F)F)c1)CCN(Cc1ccccn1)C2=O
|
C25H23F3N6O 480.494000 |
WRAJXTAYFDNAPQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605341; PubChem:CID153238800
|
Local ready
Direct docking supported
|
|
E3L062722
BDB062722
|
BDBM50605342
Cc1cccc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)n1
|
C26H25F3N6O 494.521000 |
FGSKGLJDKCYMOK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605342; PubChem:CID153572508
|
Local ready
Direct docking supported
|
|
E3L062723
BDB062723
|
BDBM50605343
Cc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)c1
|
C26H25F3N6O 494.521000 |
NQLMHXRNQWPCBA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605343; PubChem:CID153572325
|
Local ready
Direct docking supported
|
|
E3L062724
BDB062724
|
BDBM50605344
Cc1cccnc1CN1CCc2c(cc(Cn3ccnc3C)cc2-c2cn(C)nc2C(F)(F)F)C1=O
|
C26H25F3N6O 494.521000 |
AZNSVNKRAUMUJR-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605344; PubChem:CID153572565
|
Local ready
Direct docking supported
|
|
E3L062725
BDB062725
|
BDBM50605345
Cc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)ccn1
|
C26H25F3N6O 494.521000 |
IKOSBIPAJNHXGY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605345; PubChem:CID147934765
|
Local ready
Direct docking supported
|
|
E3L062726
BDB062726
|
BDBM50605346
COc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)c1
|
C26H25F3N6O2 510.520000 |
YGNFBQUKKVHYGI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605346; PubChem:CID153572459
|
Local ready
Direct docking supported
|
|
E3L062727
BDB062727
|
BDBM50605347
CCc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)c1
|
C27H27F3N6O 508.548000 |
IEGWXZPIWMLBRP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605347; PubChem:CID168271568
|
Local ready
Direct docking supported
|
|
E3L062728
BDB062728
|
BDBM50605348
CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN(Cc2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1
|
C27H27F3N6O2 524.547000 |
GLOSEPKLMDGBBB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605348; PubChem:CID168283719
|
Local ready
Direct docking supported
|
|
E3L062729
BDB062729
|
BDBM50605349
CCc1ccnc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(CC)nc3C(F)(F)F)C2=O)c1
|
C28H29F3N6O 522.575000 |
GFJWQGWZIAQBFB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605349; PubChem:CID153572297
|
Local ready
Direct docking supported
|
|
E3L062730
BDB062730
|
BDBM50605350
CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@@H](C)c2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1
|
C28H29F3N6O2 538.574000 |
ZHJGXPCMCSZPPK-KRWDZBQOSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605350; PubChem:CID149503094
|
Local ready
Direct docking supported
|
|
E3L062731
BDB062731
|
BDBM50605351
CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@H](C)c2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1
|
C28H29F3N6O2 538.574000 |
ZHJGXPCMCSZPPK-QGZVFWFLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605351; PubChem:CID168277456
|
Local ready
Direct docking supported
|
|
E3L062732
BDB062732
|
BDBM50605352
CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1
|
C30H31F3N6O2 564.612000 |
YCIMDILXHOWXJJ-HHHXNRCGSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605352; PubChem:CID168285249
|
Local ready
Direct docking supported
|
|
E3L062733
BDB062733
|
BDBM50605353
CCn1cc(-c2cc(Cn3ccnc3C)cc3c2CCN([C@H](c2cc(C)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1
|
C30H31F3N6O 548.613000 |
URNMGEJXPZLHRK-MHZLTWQESA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50605353
|
Local ready
Direct docking supported
|
|
E3L062734
BDB062734
|
BDBM50605354
CCn1cc(-c2cc(Cn3ccnc3)cc3c2CCN([C@H](C)c2cc(OC)ccn2)C3=O)c(C(F)(F)F)n1
|
C27H27F3N6O2 524.547000 |
WBTTWUZIOAJQRP-QGZVFWFLSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605354; PubChem:CID168276711
|
Local ready
Direct docking supported
|
|
E3L062735
BDB062735
|
BDBM50605355
CCn1cc(-c2cc(Cn3ccnc3)cc3c2CCN([C@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1
|
C29H29F3N6O2 550.585000 |
IRXFPIASUFJVNS-SANMLTNESA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605355; PubChem:CID153572492
|
Local ready
Direct docking supported
|
|
E3L062736
BDB062736
|
BDBM50605356
CCn1cc(-c2cc(Cn3ccnc3)cc3c2CCN([C@@H](c2cc(OC)ccn2)C2CC2)C3=O)c(C(F)(F)F)n1
|
C29H29F3N6O2 550.585000 |
IRXFPIASUFJVNS-AREMUKBSSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605356; PubChem:CID168268943
|
Local ready
Direct docking supported
|
|
E3L062737
BDB062737
|
Adtl-bpi1901
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCOc4ccccc4C(N)=O)c(C)c3)nc2c1
|
C27H27N3O6 489.528000 |
LDUXKZCPPPHDPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50605409; PubChem:CID168297966
|
Local ready
Direct docking supported
|
|
E3L062738
BDB062738
|
Parp1/brd4-IN-2
COc1cc(OC)c2c(=O)[nH]c(-c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)nc2c1
|
C25H20N4O4 440.459000 |
VNFNYBBLPFNLBF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50605410; PubChem:CID164887499
|
Local ready
Direct docking supported
|
|
E3L062739
BDB062739
|
Erk5-IN-4
Cn1cc(NC(=O)c2cc(C(=O)c3c(Cl)ccc(Cl)c3F)c[nH]2)cn1
|
C16H11Cl2FN4O2 381.194000 |
LIEUQFMVFKJKHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50605511; PubChem:CID118959090
|
Local ready
Direct docking supported
|
|
E3L062740
BDB062740
|
NMDA receptor modulator 3
O=c1[nH]cc(CSc2ccc(C(F)(F)F)cc2)[nH]c1=O
|
C12H9F3N2O2S 302.277000 |
NWZNILNWDJYNJV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50605572; PubChem:CID163408779
|
Local ready
Direct docking supported
|