| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045361
BDB045361
|
Lly-507
Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12
|
C36H42N6O 574.773000 |
PNYRDVBFYVDJJI-UHFFFAOYSA-N | O14965, O43172, O95835, P37231, P51617, Q07869, Q13233, Q92630 | Peroxisome proliferator-activated receptor gamma, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1, Aurora kinase A, U4/U6 small nuclear ribonucleoprotein Prp4, Peroxisome proliferator-activated receptor alpha, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50075102; PubChem:CID91623361
|
Local ready
Direct docking supported
|
|
E3L045362
BDB045362
|
BDBM50075315
COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1
|
C20H17F3N2O4S 438.427000 |
SUYNESVDWLCJSR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50075315; PubChem:CID54325967
|
Local ready
Direct docking supported
|
|
E3L045363
BDB045363
|
BDBM50075489
C#CCSc1nc(Nc2cccc(C(F)(F)F)c2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C24H19F3N4O3S 500.502000 |
NBIWBABYQYODCS-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50075489; PubChem:CID118733317
|
Local ready
Direct docking supported
|
|
E3L045364
BDB045364
|
BDBM50075490
C#CCSc1nc(Nc2ccc(OC)cc2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1
|
C24H22N4O4S 462.531000 |
VJMSQOCYJYOTAT-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50075490; PubChem:CID118733316
|
Local ready
Direct docking supported
|
|
E3L045365
BDB045365
|
Syk-IN-1
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12
|
C18H22N8O 366.429000 |
FPQNRXITKTZFMF-NWDGAFQWSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50076185; PubChem:CID72202597
|
Local ready
Direct docking supported
|
|
E3L045366
BDB045366
|
BDBM50076246
O=C(O)c1ccc(-n2nnnc2SC2=CS(=O)(=O)c3ccccc32)cc1
|
C16H10N4O4S2 386.414000 |
GNIXBCJHUYMUPB-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076246; PubChem:CID45032907
|
Local ready
Direct docking supported
|
|
E3L045367
BDB045367
|
BDBM50076254
O=S1(=O)C=C(Sc2nnnn2-c2ccccc2)c2ccccc21
|
C15H10N4O2S2 342.405000 |
SZCHWICZALHFML-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076254; PubChem:CID769739
|
Local ready
Direct docking supported
|
|
E3L045368
BDB045368
|
BDBM50076255
O=S1(=O)C=C(Sc2nnc(-c3ccncc3)o2)c2ccccc21
|
C15H9N3O3S2 343.389000 |
NTKJKVXLFSXSDV-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076255; PubChem:CID3312427
|
Local ready
Direct docking supported
|
|
E3L045369
BDB045369
|
BDBM50076256
O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1ncnc2[nH]cnc12
|
C11H4BrN7O2S2 410.238000 |
BICNRUFKCWJSQG-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076256; PubChem:CID2295854
|
Local ready
Direct docking supported
|
|
E3L045370
BDB045370
|
BDBM50076260
O=[N+]([O-])c1c(Sc2nnnn2-c2ccccc2)cc(Cl)c2nonc12
|
C13H6ClN7O3S 375.757000 |
GZMWQFSMHXLJCP-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076260; PubChem:CID3493274
|
Local ready
Direct docking supported
|
|
E3L045371
BDB045371
|
N-methyl-2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-amine
CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1
|
C15H14N3S+ 268.365000 |
FFUBTEITUNMMOK-UHFFFAOYSA-O | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076328; PubChem:CID509132
|
Local ready
Direct docking supported
|
|
E3L045372
BDB045372
|
Rucaparib
CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
|
C19H18FN3O 323.371000 |
HMABYWSNWIZPAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50076330; PubChem:CID9931954
|
Local ready
Direct docking supported
|
|
E3L045373
BDB045373
|
BDBM50076431
O=C1CC(Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccc(Br)cc1
|
C18H12BrN3O4S 446.282000 |
RRTRYLVVJXCDTO-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076431; PubChem:CID5124087
|
Local ready
Direct docking supported
|
|
E3L045374
BDB045374
|
BDBM50076432
COc1ccc(-c2nnc(SC3CC(=O)N(c4ccc(Cl)cc4)C3=O)[nH]2)cc1
|
C19H15ClN4O3S 414.874000 |
RXNZZGHMDZMJRB-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076432; PubChem:CID3801109
|
Local ready
Direct docking supported
|
|
E3L045375
BDB045375
|
BDBM50076435
Cc1ccc(N2C(=O)CC(Sc3nncn3-c3ccccc3)C2=O)cc1
|
C19H16N4O2S 364.430000 |
XRYMPEYWZQAWLC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076435; PubChem:CID118734156
|
Local ready
Direct docking supported
|
|
E3L045376
BDB045376
|
BDBM50076449
O=S(=O)(Nc1cc(Sc2nnnn2-c2ccccc2)c(O)c2ccccc12)c1ccccc1
|
C23H17N5O3S2 475.555000 |
WXOOMOIYDWURQC-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076449; PubChem:CID135423665
|
Local ready
Direct docking supported
|
|
E3L045377
BDB045377
|
BDBM50076450
O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1ccc(Br)cc1
|
C16H11BrClNO3S 412.692000 |
PERAWXIKWPTRLN-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076450; PubChem:CID1367211
|
Local ready
Direct docking supported
|
|
E3L045378
BDB045378
|
BDBM50076451
O=S(=O)(Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12)c1ccc(Br)cc1
|
C18H13BrN4O3S2 477.365000 |
JRDUVAUQGLWQSV-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076451; PubChem:CID2133789
|
Local ready
Direct docking supported
|
|
E3L045379
BDB045379
|
BDBM50076479
CC(C)c1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1
|
C21H20N4O3S2 440.550000 |
MFEOAVQPFYZKIH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50076479; PubChem:CID2133805
|
Local ready
Direct docking supported
|
|
E3L045380
BDB045380
|
BDBM50076493
O=C(O)CCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
|
C19H16BrNO5S2 482.377000 |
GRISDDUMMRDKDQ-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076493; PubChem:CID24320099
|
Local ready
Direct docking supported
|