| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030281
BDB030281
|
BDBM610073
O=C(O)c1ccc2c(c1)[nH]c(=O)c1cc(Br)sc12
|
C12H6BrNO3S 324.155000 |
KDDBRDDBIVSCLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610073; PubChem:CID57500655
|
Local ready
Direct docking supported
|
|
E3L030282
BDB030282
|
BDBM610074
CC(C)(C)OC(=O)CCNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C19H20N2O4S 372.446000 |
CSZYVDULFFKVGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610074; PubChem:CID57664166
|
Local ready
Direct docking supported
|
|
E3L030283
BDB030283
|
4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-7-carboxamide
O=C(Nc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C18H12N2O2S 320.373000 |
HUAQPRGYCNJVCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610075; PubChem:CID57664170
|
Local ready
Direct docking supported
|
|
E3L030284
BDB030284
|
BDBM610076
COC(=O)CNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C15H12N2O4S 316.338000 |
XXHHBASOJIAMTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610076; PubChem:CID57664095
|
Local ready
Direct docking supported
|
|
E3L030285
BDB030285
|
BDBM610077
O=C(O)CCNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C15H12N2O4S 316.338000 |
FUEIORIVPMJCTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610077; PubChem:CID57664266
|
Local ready
Direct docking supported
|
|
E3L030286
BDB030286
|
BDBM610078
O=C(O)CNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C14H10N2O4S 302.311000 |
ZHTKRNTYNXWMHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610078; PubChem:CID57664287
|
Local ready
Direct docking supported
|
|
E3L030287
BDB030287
|
BDBM610079
O=C(Nc1nccs1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C15H9N3O2S2 327.390000 |
GTXHKIBSTRVSNR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610079; PubChem:CID57664136
|
Local ready
Direct docking supported
|
|
E3L030288
BDB030288
|
BDBM610080
COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)c(OC)c1
|
C20H16N2O4S 380.425000 |
PFXSHUHWOGICES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610080; PubChem:CID57664239
|
Local ready
Direct docking supported
|
|
E3L030289
BDB030289
|
BDBM610081
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C22H19N3O3S 405.479000 |
VUZDYYRRJVBHBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610081; PubChem:CID57664127
|
Local ready
Direct docking supported
|
|
E3L030290
BDB030290
|
BDBM610082
O=C(Nc1cccnc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C17H11N3O2S 321.361000 |
ZMBLMPLSTSYCSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610082; PubChem:CID57664263
|
Local ready
Direct docking supported
|
|
E3L030291
BDB030291
|
BDBM610083
COc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C19H14N2O3S 350.399000 |
LUMIUPJHNFSHEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610083; PubChem:CID57664220
|
Local ready
Direct docking supported
|
|
E3L030292
BDB030292
|
BDBM610085
O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C18H11ClN2O2S 354.818000 |
TWBIGHMFRQRUCG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610085; PubChem:CID57664217
|
Local ready
Direct docking supported
|
|
E3L030293
BDB030293
|
BDBM610087
O=C(NCCc1cnc[nH]1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C17H14N4O2S 338.392000 |
LPYZFUPIJZYUNX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610087; PubChem:CID57664037
|
Local ready
Direct docking supported
|
|
E3L030294
BDB030294
|
BDBM610088
O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C18H19N3O3S 357.435000 |
RDCSXXRTNZXYFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610088; PubChem:CID57664283
|
Local ready
Direct docking supported
|
|
E3L030295
BDB030295
|
BDBM610089
O=C(c1ccc2c(c1)[nH]c(=O)c1ccsc12)N1CCOCC1
|
C16H14N2O3S 314.366000 |
LMLIMFQXPDFNIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610089; PubChem:CID57664129
|
Local ready
Direct docking supported
|
|
E3L030296
BDB030296
|
4-oxo-N-propyl-5H-thieno[3,2-c]quinoline-7-carboxamide
CCCNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C15H14N2O2S 286.356000 |
IQIWTDSQRKTITM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610090; PubChem:CID57664082
|
Local ready
Direct docking supported
|
|
E3L030297
BDB030297
|
BDBM610091
O=C(NCCc1ccccn1)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C19H15N3O2S 349.415000 |
MXKBCXPIWVCPPC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610091; PubChem:CID57664271
|
Local ready
Direct docking supported
|
|
E3L030298
BDB030298
|
BDBM610092
COCCNC(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C15H14N2O3S 302.355000 |
OGTMCGBQWSZJLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610092; PubChem:CID57664036
|
Local ready
Direct docking supported
|
|
E3L030299
BDB030299
|
BDBM610094
COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=O)c2ccsc23)cc1OC
|
C22H20N2O4S 408.479000 |
YQSWCYMSPOPRQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610094; PubChem:CID57664218
|
Local ready
Direct docking supported
|
|
E3L030300
BDB030300
|
BDBM610095
CN(C)C(=O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
|
C14H12N2O2S 272.329000 |
LTTZHDYRTHEOMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM610095; PubChem:CID57664206
|
Local ready
Direct docking supported
|