| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048221
BDB048221
|
BDBM50197587
CC(C)(C)OC(=O)Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C26H23N3O4S 473.554000 |
ZXXXTYVMXGMMNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197587; PubChem:CID44440371
|
Local ready
Direct docking supported
|
|
E3L048222
BDB048222
|
BDBM50197588
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)n5)cc4c23)CCC1
|
C27H26N4O7S 550.593000 |
IVLGPCILSBEGDK-BGBGKBECSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50197588
|
Local ready
Direct docking supported
|
|
E3L048223
BDB048223
|
BDBM50197589
CC(C)CC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C26H24N4O3S 472.570000 |
OUIHMFRMZPDWQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197589; PubChem:CID44440342
|
Local ready
Direct docking supported
|
|
E3L048224
BDB048224
|
BDBM50197590
CCCCC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C26H24N4O3S 472.570000 |
PRDNKGWJUPXSQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197590; PubChem:CID44440341
|
Local ready
Direct docking supported
|
|
E3L048225
BDB048225
|
BDBM50197591
Cc1sc(N)nc1-c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4
|
C21H16N4O2S 388.452000 |
JRYIOTCEXSPQBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197591; PubChem:CID44440352
|
Local ready
Direct docking supported
|
|
E3L048226
BDB048226
|
BDBM50197592
CCCC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C25H22N4O3S 458.543000 |
VWVYKQCGYQYSBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197592; PubChem:CID44440339
|
Local ready
Direct docking supported
|
|
E3L048227
BDB048227
|
BDBM50197593
CC(C)(C)OC(=O)NC(CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)C(=O)OC(C)(C)C
|
C34H38N4O6S 630.767000 |
OVGWBLILHSVMRH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50197593
|
Local ready
Direct docking supported
|
|
E3L048228
BDB048228
|
BDBM50197594
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(-c6ccno6)n5)cc4c23)CCC1
|
C23H14N4O3S 426.457000 |
MUPYJWFHURBOHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197594; PubChem:CID44440379
|
Local ready
Direct docking supported
|
|
E3L048229
BDB048229
|
BDBM50197595
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC(=O)C6CC6)n5)cc4c23)CCC1
|
C25H20N4O3S 456.527000 |
BEBLLYAKUSEQNP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50197595
|
Local ready
Direct docking supported
|
|
E3L048230
BDB048230
|
BDBM50197596
CNc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C21H16N4O2S 388.452000 |
XMFHANZCKLQQRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197596; PubChem:CID44440353
|
Local ready
Direct docking supported
|
|
E3L048231
BDB048231
|
BDBM50197597
CC(C)C(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C25H22N4O3S 458.543000 |
XQKQVXGCURBIRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50197597
|
Local ready
Direct docking supported
|
|
E3L048232
BDB048232
|
BDBM50197598
NC(N)=Nc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C21H16N6O2S 416.466000 |
RFEORNDEYAQLPZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197598; PubChem:CID44440354
|
Local ready
Direct docking supported
|
|
E3L048233
BDB048233
|
BDBM50197599
CS(=O)(=O)Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C22H17N3O4S2 451.529000 |
QJEQAJUGFHPAIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197599; PubChem:CID44440364
|
Local ready
Direct docking supported
|
|
E3L048234
BDB048234
|
BDBM50197600
Nc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C20H14N4O2S 374.425000 |
PSXNFNPGJHVFNL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197600; PubChem:CID16216718
|
Local ready
Direct docking supported
|
|
E3L048235
BDB048235
|
BDBM50197601
CS(=O)(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C22H18N4O4S2 466.544000 |
FFKXZNOWMXYFDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197601; PubChem:CID44440349
|
Local ready
Direct docking supported
|
|
E3L048236
BDB048236
|
BDBM50197602
CC(C)(C)C(=O)OCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C26H23N3O4S 473.554000 |
CVPSVBFSEFEFEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197602; PubChem:CID44440377
|
Local ready
Direct docking supported
|
|
E3L048237
BDB048237
|
BDBM50197603
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC(=O)C6CCCC6)n5)cc4c23)CCC1
|
C27H24N4O3S 484.581000 |
SGZYCMFPTAWGMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50197603
|
Local ready
Direct docking supported
|
|
E3L048238
BDB048238
|
BDBM50197604
Cc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
|
C21H15N3O2S 373.437000 |
KYRFNMXATSCERT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197604; PubChem:CID44440323
|
Local ready
Direct docking supported
|
|
E3L048239
BDB048239
|
BDBM50197605
NC(CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)C(=O)O
|
C25H22N4O4S 474.542000 |
VZPKWLYKBRDPJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197605; PubChem:CID44440361
|
Local ready
Direct docking supported
|
|
E3L048240
BDB048240
|
BDBM50197606
O=C(NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)OCc1ccccc1
|
C29H22N4O4S 522.586000 |
QNQKERAATOMVGY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50197606; PubChem:CID44440347
|
Local ready
Direct docking supported
|