| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065321
BDB065321
|
BDBM50651266
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CO)n21
|
C23H21FN6O3 448.458000 |
HZTIBIFJTOSWGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50651266; PubChem:CID177371737
|
Local ready
Direct docking supported
|
|
E3L065322
BDB065322
|
BDBM50651267
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CCl)n21
|
C23H20ClFN6O2 466.904000 |
SNKHVAMJHZSOHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50651267; PubChem:CID177371738
|
Local ready
Direct docking supported
|
|
E3L065323
BDB065323
|
BDBM50651268
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(CN(C)C)n21
|
C25H26FN7O2 475.528000 |
REZQZHZAWVOQLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50651268; PubChem:CID177371739
|
Local ready
Direct docking supported
|
|
E3L065324
BDB065324
|
BDBM50651269
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(O)CO)n21
|
C24H23FN6O4 478.484000 |
URYULUTZDQQOMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50651269; PubChem:CID177371740
|
Local ready
Direct docking supported
|
|
E3L065325
BDB065325
|
BDBM50651270
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)Cl)n21
|
C23H18ClF3N6O2 502.884000 |
GOEWVAKZSBRODO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50651270; PubChem:CID177371741
|
Local ready
Direct docking supported
|
|
E3L065326
BDB065326
|
BDBM50651271
CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)C(F)(F)F)n21
|
C24H18F6N6O2 536.436000 |
WLGWBSRQTVWQOE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50651271; PubChem:CID177371742
|
Local ready
Direct docking supported
|
|
E3L065327
BDB065327
|
BDBM50651272
CC1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)Cc2nnc(-c3ccccn3)n21
|
C27H22FN7O3 511.517000 |
DCYYLLTXYGXPKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50651272; PubChem:CID177371743
|
Local ready
Direct docking supported
|
|
E3L065328
BDB065328
|
Anti-inflammatory agent 56
NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)cc3O)nc2-c2ccccc2O)cc1
|
C21H15F3N4O4S 476.436000 |
YBJSLMXSIPTSNC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50651485; PubChem:CID162665430
|
Local ready
Direct docking supported
|
|
E3L065329
BDB065329
|
N-(2-oxo-2-phenylethyl)naphthalene-2-sulfonamide
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
|
C18H15NO3S 325.389000 |
ZVGSMMBQCIHOJW-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651509; PubChem:CID24215032
|
Local ready
Direct docking supported
|
|
E3L065330
BDB065330
|
BDBM50651510
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F
|
C18H14FNO3S 343.379000 |
IQEGCGUYNMWYSV-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651510; PubChem:CID167569419
|
Local ready
Direct docking supported
|
|
E3L065331
BDB065331
|
BDBM50651511
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1
|
C18H14FNO3S 343.379000 |
BRYZUGLAKDFFHB-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651511; PubChem:CID177371934
|
Local ready
Direct docking supported
|
|
E3L065332
BDB065332
|
BDBM50651512
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1
|
C18H14FNO3S 343.379000 |
BWSOZITYGYNJIY-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651512; PubChem:CID84549277
|
Local ready
Direct docking supported
|
|
E3L065333
BDB065333
|
BDBM50651513
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1
|
C18H14ClNO3S 359.834000 |
KWSDAGGNWNIATM-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651513; PubChem:CID177371935
|
Local ready
Direct docking supported
|
|
E3L065334
BDB065334
|
BDBM50651514
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Br)c1
|
C18H14BrNO3S 404.285000 |
MEUQVIATKQSEIN-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651514; PubChem:CID177371936
|
Local ready
Direct docking supported
|
|
E3L065335
BDB065335
|
BDBM50651515
COc1cccc(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1
|
C19H17NO4S 355.415000 |
PZROFZHRDIGECE-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651515; PubChem:CID177371937
|
Local ready
Direct docking supported
|
|
E3L065336
BDB065336
|
BDBM50651516
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(OC(F)(F)F)c1
|
C19H14F3NO4S 409.385000 |
BWKNJMHYRLPTMV-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651516; PubChem:CID177371938
|
Local ready
Direct docking supported
|
|
E3L065337
BDB065337
|
BDBM50651517
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1F
|
C18H13ClFNO3S 377.824000 |
OWPPLLFHMBCVQP-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651517; PubChem:CID177371939
|
Local ready
Direct docking supported
|
|
E3L065338
BDB065338
|
BDBM50651518
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F
|
C18H13F2NO3S 361.369000 |
CICZMPBFYWSTEY-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651518; PubChem:CID177371940
|
Local ready
Direct docking supported
|
|
E3L065339
BDB065339
|
BDBM50651519
O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1
|
C24H19NO3S 401.487000 |
LTNRNMURGXOMMG-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651519; PubChem:CID177371941
|
Local ready
Direct docking supported
|
|
E3L065340
BDB065340
|
BDBM50651520
COc1cc(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1OC
|
C21H21NO6S 415.467000 |
NTHHBCWMJYPARB-UHFFFAOYSA-N | Q92794 | Histone acetyltransferase KAT6A |
BindingDB, PubChem
BindingDB:BDBM50651520; PubChem:CID177371942
|
Local ready
Direct docking supported
|