| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063301
BDB063301
|
BDBM50616040
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C51H81NO13 916.203000 |
IONVFRIQYMBCJN-PBSUYJRDSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616040
|
Local ready
Direct docking supported
|
|
E3L063302
BDB063302
|
BDBM50616041
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)C[C@@H](OC)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C52H83NO13 930.230000 |
BLFAIXPYVCRLSD-IBSUAFAJSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616041
|
Local ready
Direct docking supported
|
|
E3L063303
BDB063303
|
BDBM50616042
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)[C@H](OC)C2)C[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C87H134N10O24 1704.075000 |
JBTCILSTBDBZLG-KCAMSAEHSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616042
|
Local ready
Direct docking supported
|
|
E3L063304
BDB063304
|
BDBM50616043
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)[C@H](OC)C2)C[C@@H](OC)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C88H136N10O24 1718.102000 |
CTFYIRDIWNNKBH-JDRDEFSNSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616043
|
Local ready
Direct docking supported
|
|
E3L063305
BDB063305
|
Rmc-5552
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)[C@H](OC)C2)C[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C93H136N10O24 1778.157000 |
IUTYTXDIGUNPAA-GKVGALOGSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50616044; PubChem:CID162640850
|
Local ready
Direct docking supported
|
|
E3L063306
BDB063306
|
BDBM50616045
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)[C@H](OC)C2)C[C@@H](OC)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C94H138N10O24 1792.184000 |
OVZXUGCOPDRTLO-PPZXLFTNSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616045
|
Local ready
Direct docking supported
|
|
E3L063307
BDB063307
|
BDBM50616046
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCS(=O)(=O)c3ccc(C(=O)N4CCOc5ccc(-c6ccc(N)nc6)cc5C4)c(C)c3F)[C@H](OC)C2)C[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C95H141FN6O27S 1850.253000 |
SBCMKKFTXRBACH-URWOFZDBSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616046
|
Local ready
Direct docking supported
|
|
E3L063308
BDB063308
|
BDBM50616047
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCS(=O)(=O)c3ccc(C(=O)N4CCOc5ccc(-c6ccc(N)nc6)cc5C4)c(C)c3F)[C@H](OC)C2)C[C@@H](OC)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C96H143FN6O27S 1864.280000 |
KNCBLPFPBXCIEU-LYZNWPPVSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616047
|
Local ready
Direct docking supported
|
|
E3L063309
BDB063309
|
BDBM50616174
COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4c3)CCCC2)cc1
|
C25H28N4O3 432.524000 |
XBDPBTSCHVDILV-JOCHJYFZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616174; PubChem:CID142504335
|
Local ready
Direct docking supported
|
|
E3L063310
BDB063310
|
BDBM50616175
COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4cn[nH]c4c3)CCCC2)cc1
|
C25H28N4O3 432.524000 |
XCASKZORZPWSEQ-JOCHJYFZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616175; PubChem:CID172448015
|
Local ready
Direct docking supported
|
|
E3L063311
BDB063311
|
BDBM50616176
COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ccc34)CCCC2)cc1
|
C26H29N3O3 431.536000 |
XEUMVCXPLBAASQ-HSZRJFAPSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616176; PubChem:CID146500440
|
Local ready
Direct docking supported
|
|
E3L063312
BDB063312
|
BDBM50616177
COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ccc4c3)CCCC2)cc1
|
C26H29N3O3 431.536000 |
YNMXMPZOXHCWGJ-HSZRJFAPSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616177; PubChem:CID146500395
|
Local ready
Direct docking supported
|
|
E3L063313
BDB063313
|
BDBM50616178
COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCC2)cc1
|
C24H27N5O3 433.512000 |
USGXQMKELQOFGN-HXUWFJFHSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616178; PubChem:CID172454635
|
Local ready
Direct docking supported
|
|
E3L063314
BDB063314
|
BDBM50616179
COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
|
C25H28FN5O3 465.529000 |
CCRMEUSDGNVQDG-DYESRHJHSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616179; PubChem:CID142504056
|
Local ready
Direct docking supported
|
|
E3L063315
BDB063315
|
BDBM50616180
COc1ccc(C2(C(=O)N3C[C@H](O)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
|
C25H29N5O4 463.538000 |
URSZNCLFSXSCBE-DYESRHJHSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616180; PubChem:CID172467446
|
Local ready
Direct docking supported
|
|
E3L063316
BDB063316
|
BDBM50616181
COc1ccc(C2(C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
|
C24H27N5O5S 497.577000 |
RLKWUVAMXJUOAR-HXUWFJFHSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616181; PubChem:CID146500384
|
Local ready
Direct docking supported
|
|
E3L063317
BDB063317
|
BDBM50616182
COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCOCC2)cc1
|
C24H26FN5O4 467.501000 |
ZDMYCCVVLNPSHC-OXQOHEQNSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616182; PubChem:CID142504245
|
Local ready
Direct docking supported
|
|
E3L063318
BDB063318
|
BDBM50616183
COc1ccc(C(C)(C)C(=O)N2C[C@H](F)C[C@@H]2C(=O)Nc2ccc3[nH]ncc3n2)cc1
|
C22H24FN5O3 425.464000 |
QGUMABWCEIISFK-RDTXWAMCSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616183; PubChem:CID142504016
|
Local ready
Direct docking supported
|
|
E3L063319
BDB063319
|
Ep300/CREBBP-IN-4
COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CC(F)(F)C2)cc1
|
C23H22F3N5O3 473.455000 |
TURGXTFEXLEVEN-RDTXWAMCSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50616184; PubChem:CID142504195
|
Local ready
Direct docking supported
|
|
E3L063320
BDB063320
|
BDBM50616185
COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1
|
C25H26F3N5O3 501.509000 |
UCKDTCZSOLMOMQ-OXQOHEQNSA-N | Q09472, Q92793, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50616185; PubChem:CID142503996
|
Local ready
Direct docking supported
|