| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051181
BDB051181
|
BDBM50292252
COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)c(OC)c1OC
|
C22H30N8O3 454.535000 |
AMWMGVKJAYQHID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292252; PubChem:CID145958079
|
Local ready
Direct docking supported
|
|
E3L051182
BDB051182
|
BDBM50292253
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1OC
|
C22H28N8O3 452.519000 |
REXOPODAAFIDIW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292253; PubChem:CID145957225
|
Local ready
Direct docking supported
|
|
E3L051183
BDB051183
|
BDBM50292254
COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1OC
|
C21H28N8O2 424.509000 |
IOZKFIAWEQJPPC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292254; PubChem:CID145960087
|
Local ready
Direct docking supported
|
|
E3L051184
BDB051184
|
BDBM50292255
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc4c(c3)OCO4)n2)n[nH]1
|
C20H24N8O2 408.466000 |
VTTYFSMWRGIKFX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292255; PubChem:CID72194532
|
Local ready
Direct docking supported
|
|
E3L051185
BDB051185
|
Palmatine
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
|
C21H22NO4+ 352.410000 |
QUCQEUCGKKTEBI-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50292332; PubChem:CID19009
|
Local ready
Direct docking supported
|
|
E3L051186
BDB051186
|
BDBM50292406
CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1N
|
C12H11N3O3 245.238000 |
PKEDBIGNILOTHW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50292406; PubChem:CID85100215
|
Local ready
Direct docking supported
|
|
E3L051187
BDB051187
|
BDBM50292429
C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1C(=O)O
|
C22H30O3 342.479000 |
QUVGEKPNSCFQIR-UTOQUPLUSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50292429; PubChem:CID9875131
|
Local ready
Direct docking supported
|
|
E3L051188
BDB051188
|
N-ethyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CCNc1cc(-c2cccnc2)nc2ccnn12
|
C13H13N5 239.282000 |
BFTHMXHAOYUDNL-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50292588; PubChem:CID137348714
|
Local ready
Direct docking supported
|
|
E3L051189
BDB051189
|
BDBM50293669
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1
|
C22H20N6OS 416.510000 |
XLXSRNTZHMLTMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293669; PubChem:CID10180161
|
Local ready
Direct docking supported
|
|
E3L051190
BDB051190
|
BDBM50293670
CC(=O)Nc1ccc(Sc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1
|
C19H16N6OS 376.445000 |
WHSOGGOFMJGWDM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293670; PubChem:CID9969776
|
Local ready
Direct docking supported
|
|
E3L051191
BDB051191
|
BDBM50293671
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C4CC4)n[nH]3)c3ccccc3n2)cc1
|
C22H20N6OS 416.510000 |
ZLLVQOSTXBHAIP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293671; PubChem:CID10112611
|
Local ready
Direct docking supported
|
|
E3L051192
BDB051192
|
BDBM50293672
Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)[nH]n1
|
C18H16N6 316.368000 |
MAIYDNZVOBREIJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293672; PubChem:CID10267834
|
Local ready
Direct docking supported
|
|
E3L051193
BDB051193
|
BDBM50293673
Cc1cc(Nc2nc(N(C)c3ccccc3)nc3ccccc23)[nH]n1
|
C19H18N6 330.395000 |
HVHBXBDAWFYVOJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293673; PubChem:CID9858715
|
Local ready
Direct docking supported
|
|
E3L051194
BDB051194
|
BDBM50293674
Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1
|
C18H15N5O 317.352000 |
HPMITVJMOXAXLV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293674; PubChem:CID9901505
|
Local ready
Direct docking supported
|
|
E3L051195
BDB051195
|
BDBM50293675
Cc1cc(Nc2nc(Sc3ccccc3)nc3ccccc23)[nH]n1
|
C18H15N5S 333.420000 |
QITTZHVXBHDUGY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293675; PubChem:CID10268530
|
Local ready
Direct docking supported
|
|
E3L051196
BDB051196
|
BDBM50293676
Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)[nH]n1
|
C18H14ClN5S 367.865000 |
NQFJXYKOQSRMCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293676; PubChem:CID10270356
|
Local ready
Direct docking supported
|
|
E3L051197
BDB051197
|
BDBM50293677
Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)[nH]n1
|
C18H14ClN5S 367.865000 |
IBWNGAFCNXNEDG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293677; PubChem:CID9947412
|
Local ready
Direct docking supported
|
|
E3L051198
BDB051198
|
BDBM50293678
Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)[nH]n1
|
C18H14ClN5S 367.865000 |
KTRJFPLINHVYDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293678; PubChem:CID10133600
|
Local ready
Direct docking supported
|
|
E3L051199
BDB051199
|
BDBM50293679
Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1
|
C18H13Cl2N5S 402.310000 |
PEPCSEJJADXCRB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293679; PubChem:CID10179215
|
Local ready
Direct docking supported
|
|
E3L051200
BDB051200
|
BDBM50293680
Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1
|
C18H13Cl2N5S 402.310000 |
HWUIJIOSFJIUGC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293680; PubChem:CID10222721
|
Local ready
Direct docking supported
|