| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049201
BDB049201
|
Mbm-55
CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5cccc(F)c5)c4)cnc3c2)cn1
|
C28H27FN6O2 498.562000 |
CGECJCJUHCZZGO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50234990; PubChem:CID137636872
|
Local ready
Direct docking supported
|
|
E3L049202
BDB049202
|
BDBM50234994
CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5)c4)cnc3c2)cn1
|
C28H28N6O2 480.572000 |
RENORGCYKWQFMO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50234994; PubChem:CID137637358
|
Local ready
Direct docking supported
|
|
E3L049203
BDB049203
|
BDBM50235007
CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5F)c4)cnc3c2)cn1
|
C28H27FN6O2 498.562000 |
AQIQDIPUFWRILR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235007; PubChem:CID137643418
|
Local ready
Direct docking supported
|
|
E3L049204
BDB049204
|
BDBM50235015
CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5cccc(C(F)(F)F)c5)c4)cnc3c2)cn1
|
C29H27F3N6O2 548.569000 |
NQRIOYUQXAMKEV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235015; PubChem:CID137644537
|
Local ready
Direct docking supported
|
|
E3L049205
BDB049205
|
Srpin340
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1
|
C18H18F3N3O 349.356000 |
DWFGGOFPIISJIT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50235034; PubChem:CID2797577
|
Local ready
Direct docking supported
|
|
E3L049206
BDB049206
|
O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
|
C18H22N6O3S 402.480000 |
OWXORKPNCHJYOF-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50235342; PubChem:CID4566
|
Local ready
Direct docking supported
|
|
E3L049207
BDB049207
|
6-ethynyl-N-phenyl-7H-purin-2-amine
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
|
C13H9N5 235.250000 |
PRKFJWMFXNJCLC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50235350; PubChem:CID137653554
|
Local ready
Direct docking supported
|
|
E3L049208
BDB049208
|
BDBM50235626
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1cn(C)c2ccccc12
|
C22H25BrFN3 430.365000 |
ZNFRUVZPVKADAA-VGSWGCGISA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235626; PubChem:CID124220776
|
Local ready
Direct docking supported
|
|
E3L049209
BDB049209
|
BDBM50235627
CN(C)[C@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1c1cn(C)c2ccccc12
|
C22H25ClFN3 385.914000 |
SGJDIPHHTWORQM-VGSWGCGISA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235627; PubChem:CID137655015
|
Local ready
Direct docking supported
|
|
E3L049210
BDB049210
|
BDBM50235628
Cc1nc2ncccn2c1CN1C[C@H](c2cn(C)c3ccccc23)[C@@H](N(C)C)C1
|
C23H28N6 388.519000 |
LXIMYCUNHHEJNP-KNQAVFIVSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235628; PubChem:CID137657817
|
Local ready
Direct docking supported
|
|
E3L049211
BDB049211
|
BDBM50235629
CN(C)[C@H]1CN(Cc2nccn2C)C[C@@H]1c1cn(C)c2ccccc12
|
C20H27N5 337.471000 |
VRQHCKQZNPAZPR-MJGOQNOKSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235629; PubChem:CID137636483
|
Local ready
Direct docking supported
|
|
E3L049212
BDB049212
|
BDBM50235630
CN(C)[C@H]1CC(C2CCc3cccc(F)c32)C[C@@H]1c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
|
C27H36FN3O2S 485.669000 |
ZPYZUHUGHFFSDX-JUNJKAAPSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235630; PubChem:CID137655616
|
Local ready
Direct docking supported
|
|
E3L049213
BDB049213
|
BDBM50235631
CC(=O)N1CCN(c2ccc([C@H]3CN(C4CCc5cccc(F)c54)C[C@@H]3N(C)C)cc2)CC1
|
C27H35FN4O 450.602000 |
HONKOMBKMLYRBQ-XWYQMZBESA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235631; PubChem:CID132085494
|
Local ready
Direct docking supported
|
|
E3L049214
BDB049214
|
BDBM50235632
Cc1cccc(F)c1CN1C[C@H](c2cn(C)c3c(C(=O)N4CC(F)C4)cccc23)[C@@H](N(C)C)C1
|
C27H32F2N4O 466.576000 |
VURZKBMHVVVHSN-NOZRDPDXSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235632; PubChem:CID137650740
|
Local ready
Direct docking supported
|
|
E3L049215
BDB049215
|
BDBM50235633
CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cn(C)c2ccccc12
|
C22H27N3 333.479000 |
KPDHBNGBNTXLDE-IRLDBZIGSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235633; PubChem:CID95854752
|
Local ready
Direct docking supported
|
|
E3L049216
BDB049216
|
BDBM50235634
CCn1cc(CN2C[C@H](c3cn(C)c4ccccc34)[C@@H](N(C)C)C2)c(C)n1
|
C22H31N5 365.525000 |
QCLYWSQHSURFFC-IRLDBZIGSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235634; PubChem:CID137646001
|
Local ready
Direct docking supported
|
|
E3L049217
BDB049217
|
BDBM50235635
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCCCC1
|
C19H28BrFN2 383.349000 |
ALRPOEGWCSXABV-BEFAXECRSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235635; PubChem:CID137644092
|
Local ready
Direct docking supported
|
|
E3L049218
BDB049218
|
BDBM50235636
CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCOCC1
|
C18H26BrFN2O 385.321000 |
HPMRAVHHRVIMFH-KDOFPFPSSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235636; PubChem:CID137658035
|
Local ready
Direct docking supported
|
|
E3L049219
BDB049219
|
BDBM50235637
CN(C)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccccc12
|
C22H26FN3 351.469000 |
RKNBLAXWKGGOHU-KNQAVFIVSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235637; PubChem:CID137658502
|
Local ready
Direct docking supported
|
|
E3L049220
BDB049220
|
BDBM50235638
Cc1ccc(F)c(CN2C[C@H](c3cn(C)c4ccccc34)[C@@H](N(C)C)C2)c1
|
C23H28FN3 365.496000 |
OGKGBQXQHIIVRY-OFNKIYASSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50235638; PubChem:CID137657094
|
Local ready
Direct docking supported
|