| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059441
BDB059441
|
BDBM50528249
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CCC2
|
C22H24NO4+ 366.437000 |
GRQTUBDHNCZGPU-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528249; PubChem:CID155563316
|
Local ready
Direct docking supported
|
|
E3L059442
BDB059442
|
BDBM50528250
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OCc4ccccc4)c3c[n+]1CCC2
|
C28H28NO4+ 442.535000 |
HMHXFCZZAOUDOM-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528250; PubChem:CID155549457
|
Local ready
Direct docking supported
|
|
E3L059443
BDB059443
|
BDBM50528251
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3C[N+]1(Cc1ccccc1)CCC2
|
C29H34NO4+ 460.594000 |
FMFKCGXYGXCHJU-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528251; PubChem:CID155548493
|
Local ready
Direct docking supported
|
|
E3L059444
BDB059444
|
BDBM50528252
COc1ccc2cc3[n+](cc2c1OC)CCCc1cc2c(cc1-3)OCO2
|
C21H20NO4+ 350.394000 |
LBPORLHQZOTKGA-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528252; PubChem:CID91319900
|
Local ready
Direct docking supported
|
|
E3L059445
BDB059445
|
BDBM50528253
CCCCC[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C/CCCC(=O)O
|
C20H30O4 334.456000 |
TUXFWOHFPFBNEJ-NPDWOVDUSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528253; PubChem:CID124351359
|
Local ready
Direct docking supported
|
|
E3L059446
BDB059446
|
BDBM50528254
C#CCNCCCCCOc1ccc2nc(C)c(C(=O)OCC)cc2c1
|
C21H26N2O3 354.450000 |
BQGPBEIPKDAHOF-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528254; PubChem:CID76853637
|
Local ready
Direct docking supported
|
|
E3L059447
BDB059447
|
BDBM50528255
COc1cc2c(cc1OC)C[N+]1(Cc3ccccc3)CCCc3cc(OC)c(OC)cc3C1C2
|
C29H34NO4+ 460.594000 |
DZQXUDWCCIDAFO-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528255; PubChem:CID155524914
|
Local ready
Direct docking supported
|
|
E3L059448
BDB059448
|
BDBM50528256
[C]Oc1ccc(C(=O)C2=C3OC([C])([C])[C@@H]([C][C]=C([C])[C])[C][C@@]34[C][C@@H]([C][C]=C([C])[C])C([C])([C])[C@@]([C][C]=C([C])[C])(C2=O)C4=O)cc1[O]
|
C39H5O6 569.463000 |
JEHHEVQGKPPSDV-OAKZDBKWSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50528256
|
Local ready
Direct docking supported
|
|
E3L059449
BDB059449
|
5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone
O=c1cc(Cl)sn1-c1ccc([N+](=O)[O-])cc1
|
C9H5ClN2O3S 256.670000 |
RBOAUBASDMUWJM-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50528257; PubChem:CID11184436
|
Local ready
Direct docking supported
|
|
E3L059450
BDB059450
|
BDBM50528258
COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c3c[n+]1CCC2
|
C28H27N2O6+ 487.532000 |
JJSPWTOGAFGDCI-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528258; PubChem:CID155531683
|
Local ready
Direct docking supported
|
|
E3L059451
BDB059451
|
BDBM50528259
CC(=O)N1CC(C)Sc2cc(S(=O)(=O)NCc3ccccc3)ccc21
|
C18H20N2O3S2 376.503000 |
IQRULRYIWLUUMG-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528259; PubChem:CID126458860
|
Local ready
Direct docking supported
|
|
E3L059452
BDB059452
|
BDBM50528260
COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c[n+]1CCC2
|
C22H24NO4+ 366.437000 |
NXUDYLIIVCFLEY-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528260; PubChem:CID155525894
|
Local ready
Direct docking supported
|
|
E3L059453
BDB059453
|
BDBM50528261
COc1cc2c(cc1OC)C[N+]1(Cc3ccccc3)CCCc3cc4c(cc3C1C2)OCO4
|
C28H30NO4+ 444.551000 |
BTZVFYMYBLNIBS-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50528261; PubChem:CID155568216
|
Local ready
Direct docking supported
|
|
E3L059454
BDB059454
|
BDBM50528262
N=C(N)NCCC[C@@H]1NC(=O)/C(=C\c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O
|
C25H32N6O12 608.561000 |
GRAFKVRBLJRCBH-DILUVACBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50528262
|
Local ready
Direct docking supported
|
|
E3L059455
BDB059455
|
BDBM50528544
CCCCNC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O
|
C16H17ClN2O3S 352.843000 |
YRMUCVPGFWCPDD-UKTHLTGXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50528544; PubChem:CID155562394
|
Local ready
Direct docking supported
|
|
E3L059456
BDB059456
|
BDBM50528811
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1
|
C31H34ClN7O2 572.113000 |
DLISTLYUFVETPG-YPCZXWAUSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50528811; PubChem:CID91754660
|
Local ready
Direct docking supported
|
|
E3L059457
BDB059457
|
Mevociclib
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
|
C31H35ClN8O2 587.128000 |
SCJNYBYSTCRPAO-LXBQGUBHSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50528812; PubChem:CID118426108
|
Local ready
Direct docking supported
|
|
E3L059458
BDB059458
|
BDBM50528814
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1
|
C30H33ClN8O2 573.101000 |
WFWFIAFTMSUDNO-CHUTXNTCSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50528814; PubChem:CID91938075
|
Local ready
Direct docking supported
|
|
E3L059459
BDB059459
|
Cdk12-IN-E9
C=CC(=O)Nc1cccc(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)c1
|
C24H30N6O2 434.544000 |
CDCHESFKYUNJPV-FQEVSTJZSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50528815; PubChem:CID122596923
|
Local ready
Direct docking supported
|
|
E3L059460
BDB059460
|
Azd-4573
CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)c(Cl)cn2)C1
|
C22H28ClN5O2 429.952000 |
AVIWDYSJSPOOAR-LSDHHAIUSA-N | P51948, Q92630 | Cyclin-H, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50528817; PubChem:CID124155204
|
Local ready
Direct docking supported
|