| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016761
BDB016761
|
BDBM375488
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4cccnc4)n[nH]c3c1)C(=O)N2
|
C25H20N4O2 408.461000 |
BFPUEACLUFVBNG-NPWAPEHASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375488; PubChem:CID58486225
|
Local ready
Direct docking supported
|
|
E3L016762
BDB016762
|
BDBM375490
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)c(F)c4)n[nH]c3c1)C(=O)N2
|
C31H29FN4O3 524.596000 |
DOHDSOLWKBKHFM-VQFZVMBQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375490; PubChem:CID58486256
|
Local ready
Direct docking supported
|
|
E3L016763
BDB016763
|
BDBM375491
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCOCC4)c(F)c3)n[nH]c2c1
|
C30H27FN4O2 494.570000 |
DPUBWRDFGPLYKX-PXABRNILSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375491; PubChem:CID58486201
|
Local ready
Direct docking supported
|
|
E3L016764
BDB016764
|
BDBM375492
C[C@@H]1CCC[C@H](C)N1Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1
|
C33H34N4O 502.662000 |
LEQAUERGPKTEPS-HISPWPGHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375492; PubChem:CID58486329
|
Local ready
Direct docking supported
|
|
E3L016765
BDB016765
|
US9907800, Example A202
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3csc(CN4CCOCC4)c3)n[nH]c2c1
|
C28H26N4O2S 482.609000 |
HXYBTUCIGVKMKK-RWUALIJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375493; PubChem:CID58486295
|
Local ready
Direct docking supported
|
|
E3L016766
BDB016766
|
BDBM375494
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5[C@H](C)CCC[C@@H]5C)cc4)n[nH]c3c1)C(=O)N2
|
C34H36N4O2 532.688000 |
PCZRHTPQIARISG-UTZFLBKPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375494; PubChem:CID58486153
|
Local ready
Direct docking supported
|
|
E3L016767
BDB016767
|
BDBM375495
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(OCCN4CCOCC4)cc3)n[nH]c2c1
|
C31H30N4O3 506.606000 |
OEUGGXOGDAWLOY-VRTQXZOWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375495; PubChem:CID58486130
|
Local ready
Direct docking supported
|
|
E3L016768
BDB016768
|
BDBM375497
CCN(CC)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)cc1
|
C31H32N4O2 492.623000 |
MXYKMKUAHGWBLY-HIRLZSNSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375497; PubChem:CID58486296
|
Local ready
Direct docking supported
|
|
E3L016769
BDB016769
|
BDBM375500
CN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(OC(F)F)cc56)ccc34)cn2)CC1
|
C28H26F2N6O2 516.552000 |
KUSXULVWVDJLIY-KMRXNPHXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375500; PubChem:CID58486362
|
Local ready
Direct docking supported
|
|
E3L016770
BDB016770
|
BDBM375501
CN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(F)cc56)ccc34)cn2)CC1
|
C27H25FN6O 468.536000 |
IWDQHFKKTHSUKI-IDISGSTGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375501; PubChem:CID58486151
|
Local ready
Direct docking supported
|
|
E3L016771
BDB016771
|
BDBM375506
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4cc(F)c(CN(C)C)c(F)c4)n[nH]c3c1)C(=O)N2
|
C29H26F2N4O2 500.549000 |
BYIAHIGDIPMPLH-YHDMLSQRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375506; PubChem:CID58486238
|
Local ready
Direct docking supported
|
|
E3L016772
BDB016772
|
BDBM375507
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4cc(F)c(CN(C)C)c(F)c4)n[nH]c3c1)C(=O)N2
|
C29H26F2N4O2 500.549000 |
BYIAHIGDIPMPLH-VEEVINSJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375507; PubChem:CID58486327
|
Local ready
Direct docking supported
|
|
E3L016773
BDB016773
|
BDBM375512
CCN(CC)Cc1c(F)cc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1F
|
C30H28F2N4O 498.577000 |
IOSVLVPZGFJBBD-MJGUXVLZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375512; PubChem:CID58486229
|
Local ready
Direct docking supported
|
|
E3L016774
BDB016774
|
BDBM375615
CN(CCc1cnn(-c2cc(C(=O)NC#N)ccn2)c1)Cc1ccc(F)cc1
|
C20H19FN6O 378.411000 |
QXPNFUDMDNCVJO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM375615; PubChem:CID86725667
|
Local ready
Direct docking supported
|
|
E3L016775
BDB016775
|
BDBM378212
Cc1cccc2cc(C(=O)NC3CCC(NC(=O)CCN)CC3)[nH]c12
|
C19H26N4O2 342.443000 |
AEUGFQSECICIPH-UHFFFAOYSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM378212; PubChem:CID132227863
|
Local ready
Direct docking supported
|
|
E3L016776
BDB016776
|
BDBM378654
O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(C2CC2)nn1
|
C20H23N7O 377.452000 |
SGVKMHGESLELKH-UHFFFAOYSA-N | O96028, Q96L73 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM378654; PubChem:CID132220034
|
Local ready
Direct docking supported
|
|
E3L016777
BDB016777
|
BDBM378802
O=C(NC1CN(Cc2cnn(Cc3ccc(Cl)cc3)c2)C1)c1cn(C2CC2)nn1
|
C20H22ClN7O 411.897000 |
MOWCUCXGYVJUHU-UHFFFAOYSA-N | O96028, Q96L73 | Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM378802; PubChem:CID118946416
|
Local ready
Direct docking supported
|
|
E3L016778
BDB016778
|
BDBM380615
Cc1nc2c([nH]1)C(c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3c1)C2=O
|
C20H17ClN6O 392.850000 |
DAXLHHYYMDQRCH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM380615; PubChem:CID86567240
|
Local ready
Direct docking supported
|
|
E3L016779
BDB016779
|
BDBM380616
Cc1cc(N2C(=O)c3nc(C)n(C(C)C)c3C2c2ccc(Cl)cc2)cc2c1nnn2C
|
C23H23ClN6O 434.931000 |
YJEIXSZAEKFWTM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM380616; PubChem:CID86567239
|
Local ready
Direct docking supported
|
|
E3L016780
BDB016780
|
US9890166, Example 3
Cc1cc(N2C(=O)c3c(nc(C)n3C(C)C)C2c2ccc(Cl)cc2)cc2c1nnn2C
|
C23H23ClN6O 434.931000 |
GQVNARRVGGOXNP-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM380617; PubChem:CID86567241
|
Local ready
Direct docking supported
|