| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014401
BDB014401
|
BDBM332748
N#Cc1ncc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C17H15FN8O 366.360000 |
KDAVLXQAQUVMBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332748; PubChem:CID87054893
|
Local ready
Direct docking supported
|
|
E3L014402
BDB014402
|
BDBM332749
CNC(=O)c1ncc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C18H19FN8O2 398.402000 |
WVJNUONQUUPPTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332749; PubChem:CID87056118
|
Local ready
Direct docking supported
|
|
E3L014403
BDB014403
|
BDBM332750
CCNC(=O)c1ncc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C19H21FN8O2 412.429000 |
YHCBNJLNFOKXHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332750; PubChem:CID87054894
|
Local ready
Direct docking supported
|
|
E3L014404
BDB014404
|
BDBM332751
CN(C)C(=O)c1ncc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C19H21FN8O2 412.429000 |
QXVQAERXLHUUQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332751; PubChem:CID87056119
|
Local ready
Direct docking supported
|
|
E3L014405
BDB014405
|
BDBM333453
O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12
|
C24H17N5O3S 455.499000 |
RVYWJVIYWKCDEE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM333453; PubChem:CID74229666
|
Local ready
Direct docking supported
|
|
E3L014406
BDB014406
|
BDBM335554
O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)nc1
|
C20H15N5O3S 405.439000 |
OZUBDKIROJPQGE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM335554; PubChem:CID1327659
|
Local ready
Direct docking supported
|
|
E3L014407
BDB014407
|
BDBM336955
O=C(COc1ccccc1)NCC(O)CN1CCc2ccccc2C1
|
C20H24N2O3 340.423000 |
HLELTZAGWIXRNB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336955; PubChem:CID76901835
|
Local ready
Direct docking supported
|
|
E3L014408
BDB014408
|
BDBM336956
O=C(CCc1ccccc1)NCC(O)CN1CCc2ccccc2C1
|
C21H26N2O2 338.451000 |
FFUQGIMPGGGBGH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336956; PubChem:CID90328721
|
Local ready
Direct docking supported
|
|
E3L014409
BDB014409
|
BDBM336957
CN(CC(O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1
|
C22H28N2O2 352.478000 |
ZLKTUNJGJTWFQB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336957; PubChem:CID90328725
|
Local ready
Direct docking supported
|
|
E3L014410
BDB014410
|
BDBM336958
O=C(COc1cccc2c1CCCN2Cc1ccccc1)NCC(O)CN1CCc2ccccc2C1
|
C30H35N3O3 485.628000 |
LWKDRHYYUJBEFA-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336958; PubChem:CID90328727
|
Local ready
Direct docking supported
|
|
E3L014411
BDB014411
|
BDBM336959
CN(CC(O)CN1CCc2ccccc2C1)C(=O)COc1ccccc1
|
C21H26N2O3 354.450000 |
ASLKHBYGVMKYDL-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336959; PubChem:CID90328735
|
Local ready
Direct docking supported
|
|
E3L014412
BDB014412
|
BDBM336960
O=C(COc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1
|
C23H25N3O3 391.471000 |
ZVCIZCPAJITPQB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336960; PubChem:CID75593311
|
Local ready
Direct docking supported
|
|
E3L014413
BDB014413
|
BDBM336961
O=C(COc1cccc(F)c1)NCC(O)CN1CCc2ccccc2C1
|
C20H23FN2O3 358.413000 |
DYLGANMZPUAKDT-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336961; PubChem:CID76902024
|
Local ready
Direct docking supported
|
|
E3L014414
BDB014414
|
BDBM336962
N#Cc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
|
C21H23N3O3 365.433000 |
HCTVQCJBLUYBBB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336962; PubChem:CID76901834
|
Local ready
Direct docking supported
|
|
E3L014415
BDB014415
|
BDBM336963
Cc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
|
C21H26N2O3 354.450000 |
IIOPYPCPAYVXKG-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336963; PubChem:CID76901836
|
Local ready
Direct docking supported
|
|
E3L014416
BDB014416
|
BDBM336964
O=C(COc1ccc(F)cc1)NCC(O)CN1CCc2ccccc2C1
|
C20H23FN2O3 358.413000 |
VCJHGNUPZNBBQI-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336964; PubChem:CID90328736
|
Local ready
Direct docking supported
|
|
E3L014417
BDB014417
|
BDBM336965
N#Cc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
|
C21H23N3O3 365.433000 |
JOVUEDKSBHZOHS-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336965; PubChem:CID90328737
|
Local ready
Direct docking supported
|
|
E3L014418
BDB014418
|
BDBM336966
COc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
|
C21H26N2O4 370.449000 |
HIYZGIICOJLAOO-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336966; PubChem:CID90241495
|
Local ready
Direct docking supported
|
|
E3L014419
BDB014419
|
BDBM336967
NC(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
|
C21H25N3O4 383.448000 |
JDRGKYJQTZVSMD-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336967; PubChem:CID117835356
|
Local ready
Direct docking supported
|
|
E3L014420
BDB014420
|
BDBM336968
CS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
|
C21H26N2O5S 418.515000 |
HYGLGBGOLLZVCC-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM336968; PubChem:CID90328738
|
Local ready
Direct docking supported
|