| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056481
BDB056481
|
BDBM50445231
Oc1ccc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1
|
C19H14N2O2 302.333000 |
UUIPRATXTHJYHH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50445231; PubChem:CID11953235
|
Local ready
Direct docking supported
|
|
E3L056482
BDB056482
|
Indy
CCN1C(=CC(C)=O)Sc2ccc(O)cc21
|
C12H13NO2S 235.308000 |
GCSZJMUFYOAHFY-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50445253; PubChem:CID69538603
|
Local ready
Direct docking supported
|
|
E3L056483
BDB056483
|
BDBM50445824
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccc(F)cc2)CC1
|
C22H21FN4O3 408.433000 |
RVVWRWXVZJUBNU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445824; PubChem:CID136241633
|
Local ready
Direct docking supported
|
|
E3L056484
BDB056484
|
BDBM50445825
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2ccc[nH]2)CC1
|
C20H21N5O3 379.420000 |
NLWNHSURVPSVNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445825; PubChem:CID136240285
|
Local ready
Direct docking supported
|
|
E3L056485
BDB056485
|
BDBM50445826
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2cccs2)CC1
|
C20H20N4O3S 396.472000 |
YMIQFFBYZDVYBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445826; PubChem:CID135711277
|
Local ready
Direct docking supported
|
|
E3L056486
BDB056486
|
BDBM50445827
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CC2)CC1
|
C19H22N4O3 354.410000 |
AEAIMKHDOZJTIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445827; PubChem:CID135813363
|
Local ready
Direct docking supported
|
|
E3L056487
BDB056487
|
BDBM50445828
CC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3C(N)=O)CC2)c(F)c1
|
C21H22FN3O4 399.422000 |
XYVRXYOQEBYRFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445828; PubChem:CID24663409
|
Local ready
Direct docking supported
|
|
E3L056488
BDB056488
|
BDBM50445829
NC(=O)c1ccccc1OCC(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21
|
C18H14F3N3O4 393.321000 |
RLEMJTLVDADDQZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445829; PubChem:CID26828969
|
Local ready
Direct docking supported
|
|
E3L056489
BDB056489
|
2-[2-Oxo-2-(1-phenylethylamino)ethoxy]benzamide
CC(NC(=O)COc1ccccc1C(N)=O)c1ccccc1
|
C17H18N2O3 298.342000 |
KZDPTWDIZUIIEX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445830; PubChem:CID16545097
|
Local ready
Direct docking supported
|
|
E3L056490
BDB056490
|
4-[(2-Carbamoylphenoxy)methyl]benzamide
NC(=O)c1ccc(COc2ccccc2C(N)=O)cc1
|
C15H14N2O3 270.288000 |
HLCVWGOKHYWXAJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445831; PubChem:CID27319973
|
Local ready
Direct docking supported
|
|
E3L056491
BDB056491
|
BDBM50445832
O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(c1ccccc1Cl)N1CCCC1
|
C22H23ClN4O2 410.905000 |
JOZUWPIWSNXBEX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445832; PubChem:CID42888548
|
Local ready
Direct docking supported
|
|
E3L056492
BDB056492
|
BDBM50445833
CCN(CC(=O)Cc1c(F)cccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12
|
C21H19F2N3O3 399.397000 |
IAPLZDKTJOTMQN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445833; PubChem:CID76328339
|
Local ready
Direct docking supported
|
|
E3L056493
BDB056493
|
BDBM50445834
O=C(CN1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1)Nc1cccc(F)c1
|
C22H22FN5O3 423.448000 |
ZWJPICTWBZREQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445834; PubChem:CID16356047
|
Local ready
Direct docking supported
|
|
E3L056494
BDB056494
|
BDBM50445835
O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
|
C21H22N4O5S 442.497000 |
XGBVCCBASMYSQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445835; PubChem:CID16357171
|
Local ready
Direct docking supported
|
|
E3L056495
BDB056495
|
BDBM50445836
O=C(Cc1n[nH]c(=O)c2ccccc12)NCCc1ccc2c(c1)OCCO2
|
C20H19N3O4 365.389000 |
UXLVPRANWWIEEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445836; PubChem:CID17408065
|
Local ready
Direct docking supported
|
|
E3L056496
BDB056496
|
BDBM50445837
CC(NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)CCCC2
|
C22H23N3O2 361.445000 |
ABDLYDVXTNTMEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445837; PubChem:CID17465122
|
Local ready
Direct docking supported
|
|
E3L056497
BDB056497
|
BDBM50445838
CC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
|
C19H20N4O4S 400.460000 |
GEPLHYQNKBDVLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445838; PubChem:CID4849074
|
Local ready
Direct docking supported
|
|
E3L056498
BDB056498
|
BDBM50445839
O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(/C=C/c2ccccc2)CC1
|
C21H20N4O2 360.417000 |
SZWAAHLVYHDYOC-ZHACJKMWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445839; PubChem:CID76317420
|
Local ready
Direct docking supported
|
|
E3L056499
BDB056499
|
BDBM50445840
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)cc2C)c(C)c1
|
C25H24N4O5S 492.557000 |
DZRWXPIMJWIPGU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445840; PubChem:CID76321146
|
Local ready
Direct docking supported
|
|
E3L056500
BDB056500
|
BDBM50445841
Cc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c(O)c1
|
C18H17N3O4 339.351000 |
CXZGLFLNQFDSBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50445841; PubChem:CID25589747
|
Local ready
Direct docking supported
|