| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062101
BDB062101
|
BDBM50594046
c1cc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccncc4)cc3)cc2)ccn1
|
C32H29N5O 499.618000 |
KWRRXZNQKFBBDV-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594046; PubChem:CID155194199
|
Local ready
Direct docking supported
|
|
E3L062102
BDB062102
|
BDBM50594047
Nc1ccc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
|
C34H33N5O 527.672000 |
JCXDXLUPCZFJKO-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594047; PubChem:CID168283283
|
Local ready
Direct docking supported
|
|
E3L062103
BDB062103
|
BDBM50594192
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl
|
C28H32ClN3O3 494.035000 |
YCBRAVWUAMYMQN-HZCBDIJESA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594192
|
Local ready
Direct docking supported
|
|
E3L062104
BDB062104
|
BDBM50594193
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](O)CC2)cc1Cl
|
C27H30ClN3O3 480.008000 |
RWBGOCCFUONRBJ-MEMLXQNLSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594193
|
Local ready
Direct docking supported
|
|
E3L062105
BDB062105
|
BDBM50594194
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CCC(F)(F)CC2)cc1Cl
|
C27H28ClF2N3O2 499.989000 |
PJAAPGUWAJWTOO-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594194; PubChem:CID168284575
|
Local ready
Direct docking supported
|
|
E3L062106
BDB062106
|
BDBM50594195
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CCN(S(C)(=O)=O)CC2)cc1Cl
|
C27H31ClN4O4S 543.089000 |
MTBZAWMWXVNBJH-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594195; PubChem:CID168277121
|
Local ready
Direct docking supported
|
|
E3L062107
BDB062107
|
BDBM50594196
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CCN(C(C)=O)CC2)cc1Cl
|
C28H31ClN4O3 507.034000 |
SJMUSJJREDZHGY-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594196; PubChem:CID168286990
|
Local ready
Direct docking supported
|
|
E3L062108
BDB062108
|
BDBM50594197
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2C[C@H](O)C2)cc1Cl
|
C25H26ClN3O3 451.954000 |
ZPLSCKIRMQZNKB-WGSAOQKQSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594197
|
Local ready
Direct docking supported
|
|
E3L062109
BDB062109
|
BDBM50594198
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](C(F)(F)F)CC2)cc1Cl
|
C28H29ClF3N3O2 532.006000 |
PGFYZHUREBLNPQ-MEMLXQNLSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594198
|
Local ready
Direct docking supported
|
|
E3L062110
BDB062110
|
BDBM50594199
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C2CC(C)(C)OC(C)(C)C2)cc1Cl
|
C30H36ClN3O3 522.089000 |
VZMMEWXWUUTTGE-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50594199; PubChem:CID168297016
|
Local ready
Direct docking supported
|
|
E3L062111
BDB062111
|
BDBM50594200
Cc1noc(C)c1-c1ccc2c(c1)nc(C1CC1c1ccccc1)n2[C@H]1CC[C@H](O)CC1
|
C27H29N3O2 427.548000 |
INUCIRHSWFLFKZ-BZKVGYQJSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594200
|
Local ready
Direct docking supported
|
|
E3L062112
BDB062112
|
BDBM50594201
COc1ccc2c(Cc3nc4cc(-c5c(C)noc5C)ccc4n3[C@H]3CC[C@H](O)CC3)cc(=O)oc2c1
|
C29H29N3O5 499.567000 |
GVHXHKYABARWDN-MEMLXQNLSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594201
|
Local ready
Direct docking supported
|
|
E3L062113
BDB062113
|
BDBM50594202
COc1ccc(N2C(=O)C[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl
|
C29H31ClN4O4 535.044000 |
BCTFYSPPQVQDML-OWHZGTRUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594202
|
Local ready
Direct docking supported
|
|
E3L062114
BDB062114
|
BDBM50594203
COc1ccc(N2C(=O)C[C@@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@H]2CC[C@H](OC)CC2)cc1Cl
|
C29H31ClN4O4 535.044000 |
BCTFYSPPQVQDML-DZRGJMJISA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50594203
|
Local ready
Direct docking supported
|
|
E3L062115
BDB062115
|
Parp10-IN-2
N#Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1
|
C14H10N2O2 238.246000 |
PQQFJYPJKKMNMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594247; PubChem:CID28825079
|
Local ready
Direct docking supported
|
|
E3L062116
BDB062116
|
BDBM50594249
Cc1ccc2c(=O)[nH]c(CSc3ncccn3)nc2c1C
|
C15H14N4OS 298.371000 |
NHFMMPLQVIZDPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594249; PubChem:CID137332078
|
Local ready
Direct docking supported
|
|
E3L062117
BDB062117
|
BDBM50594250
CC#Cc1ccc2c(=O)[nH]c(CSc3ccc(C(=O)O)cc3)nc2c1C
|
C20H16N2O3S 364.426000 |
RMIJZTKTCJJVSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50594250; PubChem:CID137332079
|
Local ready
Direct docking supported
|
|
E3L062118
BDB062118
|
2-Chloro-8-hydroxy-1,4-naphthoquinone
O=C1C=C(Cl)C(=O)c2c(O)cccc21
|
C10H5ClO3 208.600000 |
IWGFPHWJRMEFMO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50594272; PubChem:CID10856712
|
Local ready
Direct docking supported
|
|
E3L062119
BDB062119
|
2-Bromo-3-methyl-1,4-naphthoquinone
CC1=C(Br)C(=O)c2ccccc2C1=O
|
C11H7BrO2 251.079000 |
AVHXUWPFOZVLBX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50594273; PubChem:CID123179
|
Local ready
Direct docking supported
|
|
E3L062120
BDB062120
|
9,10-Anthracenedione, 2-(chloromethyl)-1,4-dihydroxy-
O=C1c2ccccc2C(=O)c2c(O)c(CCl)cc(O)c21
|
C15H9ClO4 288.686000 |
KNBNIYMUAWUNOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50594274; PubChem:CID12220563
|
Local ready
Direct docking supported
|