| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060721
BDB060721
|
BDBM50566948
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(OC)c23)n[nH]1
|
C21H21ClN6O 408.893000 |
GHDFCDSHKKEZJV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566948; PubChem:CID164627176
|
Local ready
Direct docking supported
|
|
E3L060722
BDB060722
|
Grk6-IN-1
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1
|
C22H23ClN6O2 438.919000 |
ACLLLJSNOCYQOJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566949; PubChem:CID163196291
|
Local ready
Direct docking supported
|
|
E3L060723
BDB060723
|
BDBM50566950
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cn3)nc3cccc(OC)c23)n[nH]1
|
C21H22ClN7O 423.908000 |
UAHNPUPCUJUYBV-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566950; PubChem:CID164616768
|
Local ready
Direct docking supported
|
|
E3L060724
BDB060724
|
BDBM50566951
CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1
|
C21H22FN7 391.454000 |
AZCHQQLGTDJHFL-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566951; PubChem:CID164629101
|
Local ready
Direct docking supported
|
|
E3L060725
BDB060725
|
BDBM50566952
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(C)c23)n[nH]1
|
C21H21ClN6 392.894000 |
OIGVSAJDMMXHNY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566952; PubChem:CID164622524
|
Local ready
Direct docking supported
|
|
E3L060726
BDB060726
|
BDBM50566953
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(C)c23)n[nH]1
|
C22H23ClN6O 422.920000 |
LURYOAGETDDIFD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50566953; PubChem:CID164611998
|
Local ready
Direct docking supported
|
|
E3L060727
BDB060727
|
Dyrk1-IN-1
CN(C)c1nccc(-c2cnn3ncccc23)n1
|
C12H12N6 240.270000 |
IFLBFWBMAWIBBZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50567047; PubChem:CID138454302
|
Local ready
Direct docking supported
|
|
E3L060728
BDB060728
|
BDBM50567460
CC(C)(C)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)C)cc2)cc1
|
C30H39N3O 457.662000 |
YEVZILDZTUEBRX-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50567460; PubChem:CID155193835
|
Local ready
Direct docking supported
|
|
E3L060729
BDB060729
|
2,3-Bis(4-iodophenyl)-5-(piperidin-4-ylmethoxy)pyrazine
Ic1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(I)cc2)cc1
|
C22H21I2N3O 597.238000 |
VJCZDNMFQRHICM-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50567474; PubChem:CID164621433
|
Local ready
Direct docking supported
|
|
E3L060730
BDB060730
|
CBP/p300-IN-19
c1cc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccoc4)cc3)cc2)co1
|
C30H27N3O3 477.564000 |
QLCHGDXZIUOABP-UHFFFAOYSA-N | Q09472, Q92793, Q92794, Q92831 | Histone acetyltransferase p300, CREB-binding protein, Histone acetyltransferase KAT2B, Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50567476; PubChem:CID156475149
|
Local ready
Direct docking supported
|
|
E3L060731
BDB060731
|
BDBM50567477
OCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1
|
C24H27N3O3 405.498000 |
CXZZWTRYHPVACP-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50567477; PubChem:CID164612234
|
Local ready
Direct docking supported
|
|
E3L060732
BDB060732
|
BDBM50567480
NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1
|
C24H29N5O 403.530000 |
HDFADWJZFCAEBH-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50567480; PubChem:CID164623106
|
Local ready
Direct docking supported
|
|
E3L060733
BDB060733
|
BDBM50567484
CN(C)Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN(C)C)cc2)cc1
|
C28H37N5O 459.638000 |
CXTFWXNGUWICBJ-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50567484; PubChem:CID164612593
|
Local ready
Direct docking supported
|
|
E3L060734
BDB060734
|
BDBM50567670
CSc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1
|
C29H28O6S 504.604000 |
DZNFOERODIESGK-QFEZKATASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50567670; PubChem:CID164619086
|
Local ready
Direct docking supported
|
|
E3L060735
BDB060735
|
BDBM50567671
Cc1cc(COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc(C)c1OC(C)(C)C(=O)O
|
C28H26O6 458.510000 |
XSQYRZQLCXWALM-OYKKKHCWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50567671; PubChem:CID164612618
|
Local ready
Direct docking supported
|
|
E3L060736
BDB060736
|
BDBM50567672
Cc1cc(COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O
|
C28H25FO6 476.500000 |
UBLFFLGXRLXSOW-CFRMEGHHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50567672; PubChem:CID164616038
|
Local ready
Direct docking supported
|
|
E3L060737
BDB060737
|
BDBM50567673
Cc1cc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O
|
C28H25ClO6 492.955000 |
MYJCFXHKNKIJEJ-CFRMEGHHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50567673; PubChem:CID164620412
|
Local ready
Direct docking supported
|
|
E3L060738
BDB060738
|
BDBM50567674
Cc1cc(COc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc(C)c1OC(C)(C)C(=O)O
|
C28H25BrO6 537.406000 |
XEGJZKJPNSCUIS-CFRMEGHHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50567674; PubChem:CID164616252
|
Local ready
Direct docking supported
|
|
E3L060739
BDB060739
|
BDBM50567675
Cc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1
|
C29H28O6 472.537000 |
YABIQYKRBIJZIP-QFEZKATASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50567675; PubChem:CID164610655
|
Local ready
Direct docking supported
|
|
E3L060740
BDB060740
|
BDBM50567676
COc1ccc(/C=C2\Oc3cc(OCc4cc(C)c(OC(C)(C)C(=O)O)c(C)c4)ccc3C2=O)cc1
|
C29H28O7 488.536000 |
ODLOMFXYIDAXGX-QFEZKATASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50567676; PubChem:CID164617572
|
Local ready
Direct docking supported
|