| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049241
BDB049241
|
BDBM50235659
Cc1cccc(F)c1CN1C[C@H](c2cn(CC(=O)N(C)C)c3ncccc23)[C@@H](N(C)C)C1
|
C25H32FN5O 437.563000 |
JXXBOBLHYJZFEW-GGAORHGYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235659; PubChem:CID137650497
|
Local ready
Direct docking supported
|
|
E3L049242
BDB049242
|
BDBM50235660
Cc1cccc(F)c1CN1C[C@H](c2ccc(C3=CCN(C(=O)CS(C)(=O)=O)CC3)nc2)[C@@H](N(C)C)C1
|
C27H35FN4O3S 514.667000 |
VXZCALSDOUMJDY-BVAGGSTKSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235660; PubChem:CID137639502
|
Local ready
Direct docking supported
|
|
E3L049243
BDB049243
|
BDBM50235816
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc21
|
C19H18F3N5O3 421.379000 |
IGRYEDIMNMEBBU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235816; PubChem:CID137634241
|
Local ready
Direct docking supported
|
|
E3L049244
BDB049244
|
BDBM50235817
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
|
C18H17ClF3N5O2 427.814000 |
WHFIWINTCCNYQZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235817; PubChem:CID68755406
|
Local ready
Direct docking supported
|
|
E3L049245
BDB049245
|
BDBM50235820
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
|
C15H11F3N6O 348.288000 |
FMTZJHHPYOHWNQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235820; PubChem:CID67129970
|
Local ready
Direct docking supported
|
|
E3L049246
BDB049246
|
BDBM50235830
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
|
C18H19F3N6O 392.385000 |
UJBJWYNPUOLFIZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235830; PubChem:CID16129448
|
Local ready
Direct docking supported
|
|
E3L049247
BDB049247
|
BDBM50235833
Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
|
C17H16N6O 320.356000 |
MDWXVGCLSBQVMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235833; PubChem:CID67130050
|
Local ready
Direct docking supported
|
|
E3L049248
BDB049248
|
BDBM50235984
CC(Oc1ccc(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1)C(=O)O
|
C26H23NO5 429.472000 |
HMPJUJWJRZHLGY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50235984; PubChem:CID137637905
|
Local ready
Direct docking supported
|
|
E3L049249
BDB049249
|
BDBM50235985
C[C@H](Oc1ccc(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1)C(=O)O
|
C26H23NO5 429.472000 |
HMPJUJWJRZHLGY-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50235985; PubChem:CID137653711
|
Local ready
Direct docking supported
|
|
E3L049250
BDB049250
|
BDBM50235986
C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)cc1)C(=O)O
|
C26H23NO5 429.472000 |
HMPJUJWJRZHLGY-GOSISDBHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50235986; PubChem:CID137640612
|
Local ready
Direct docking supported
|
|
E3L049251
BDB049251
|
BDBM50235987
Cc1oc(-c2ccccc2)nc1COc1ccc(Cc2ccc(OC(C)C(=O)O)cc2)cc1
|
C27H25NO5 443.499000 |
YDYDOQPEPIKOKN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50235987; PubChem:CID137659100
|
Local ready
Direct docking supported
|
|
E3L049252
BDB049252
|
EED226 Negative Control
c1ccc(-c2cnc(NCc3ccco3)n3ccnc23)cc1
|
C17H14N4O 290.326000 |
VXPVKLJHSFYIKG-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235988; PubChem:CID137648303
|
Local ready
Direct docking supported
|
|
E3L049253
BDB049253
|
BDBM50235989
N#Cc1cc(-c2ccccc2)c2nncn2c1NCc1ccco1
|
C18H13N5O 315.336000 |
SUYOGZKZVOCZTH-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235989; PubChem:CID137632301
|
Local ready
Direct docking supported
|
|
E3L049254
BDB049254
|
BDBM50235990
CN(C)Cc1ccc(-c2cc(C#N)c(NCc3ccco3)n3cnnc23)cc1
|
C21H20N6O 372.432000 |
WNDBBGOJEJCHGT-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235990; PubChem:CID137642523
|
Local ready
Direct docking supported
|
|
E3L049255
BDB049255
|
BDBM50235991
c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1
|
C16H13N5O 291.314000 |
SOAAMBFMHFMYFB-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235991; PubChem:CID137657380
|
Local ready
Direct docking supported
|
|
E3L049256
BDB049256
|
BDBM50235992
N#Cc1cc(-c2ccccc2F)c2nncn2c1NCc1ccco1
|
C18H12FN5O 333.326000 |
XONOYNOZMFMROO-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235992; PubChem:CID137654221
|
Local ready
Direct docking supported
|
|
E3L049257
BDB049257
|
BDBM50235993
N#Cc1c2c(c3nncn3c1Cl)CN(Cc1ccccc1)CC2
|
C17H14ClN5 323.787000 |
DKENVSHNKFNIDD-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235993; PubChem:CID118996396
|
Local ready
Direct docking supported
|
|
E3L049258
BDB049258
|
BDBM50235994
N#Cc1ccc2nncn2c1NCc1ccco1
|
C12H9N5O 239.238000 |
HNQBUBGQBZCBSB-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235994; PubChem:CID137349703
|
Local ready
Direct docking supported
|
|
E3L049259
BDB049259
|
BDBM50235995
CN(C)Cc1ccc(-c2cnc(NCc3cccs3)n3cnnc23)cc1
|
C19H20N6S 364.478000 |
OXNNFTKMVOEGMX-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235995; PubChem:CID137661104
|
Local ready
Direct docking supported
|
|
E3L049260
BDB049260
|
BDBM50235996
CN(C)Cc1ccc(-c2cc(C#N)c(NCc3ccoc3)n3cnnc23)cc1
|
C21H20N6O 372.432000 |
FSCIJLWLJIELEZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235996; PubChem:CID137650810
|
Local ready
Direct docking supported
|