| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058161
BDB058161
|
2-(Benzo[d][1,3]dioxol-5-yl)quinazolin-4(1H)-one
O=c1[nH]c(-c2ccc3c(c2)OCO3)nc2ccccc12
|
C15H10N2O3 266.256000 |
JDCPQGXAZCZLPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505337; PubChem:CID135448518
|
Local ready
Direct docking supported
|
|
E3L058162
BDB058162
|
2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-quinazolin-4-one
CC(C)(O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
|
C17H16N2O2 280.327000 |
FVSMOECHMBICED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505338; PubChem:CID153951026
|
Local ready
Direct docking supported
|
|
E3L058163
BDB058163
|
BDBM50505339
CC(C)(O)c1ccc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc1
|
C17H15FN2O2 298.317000 |
HBRPUCMYDQNVOS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505339; PubChem:CID136236970
|
Local ready
Direct docking supported
|
|
E3L058164
BDB058164
|
BDBM50505340
CC(C)(O)c1ccc(-c2nc3c(F)cccc3c(=O)[nH]2)cc1
|
C17H15FN2O2 298.317000 |
CDDNTCUZCTVFFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505340; PubChem:CID136236972
|
Local ready
Direct docking supported
|
|
E3L058165
BDB058165
|
BDBM50505341
CC(C)(O)c1ccc(-c2nc3c(Cl)cccc3c(=O)[nH]2)cc1
|
C17H15ClN2O2 314.772000 |
BMZFSQDDGKZEHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505341; PubChem:CID136236976
|
Local ready
Direct docking supported
|
|
E3L058166
BDB058166
|
BDBM50505342
CC(C)(OCCO)c1ccc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc1
|
C19H19FN2O3 342.370000 |
ILBZVTXOJSVUIM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505342; PubChem:CID136236977
|
Local ready
Direct docking supported
|
|
E3L058167
BDB058167
|
BDBM50505343
COCCOC(C)(C)c1ccc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc1
|
C20H21FN2O3 356.397000 |
IAIXKHJSBQJCKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505343; PubChem:CID136236978
|
Local ready
Direct docking supported
|
|
E3L058168
BDB058168
|
BDBM50505344
CC(C)(O)c1ccc(-c2nc3cccc(Cl)c3c(=O)[nH]2)cc1
|
C17H15ClN2O2 314.772000 |
ZPLCRPBMZNZKDA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505344; PubChem:CID136236995
|
Local ready
Direct docking supported
|
|
E3L058169
BDB058169
|
BDBM50505345
CN1CCN(c2ccc(-c3nc4ccc(F)cc4c(=O)[nH]3)cc2)CC1
|
C19H19FN4O 338.386000 |
ZQAMFUHPGNZLHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505345; PubChem:CID136236980
|
Local ready
Direct docking supported
|
|
E3L058170
BDB058170
|
BDBM50505347
CC(C)(O)c1ccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1
|
C17H15ClN2O2 314.772000 |
YXOMGSWERMJJSE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505347; PubChem:CID136236975
|
Local ready
Direct docking supported
|
|
E3L058171
BDB058171
|
BDBM50505348
CC(C)(O)c1ccc(-c2nc3ccc(F)c(F)c3c(=O)[nH]2)cc1
|
C17H14F2N2O2 316.307000 |
IZGNMSCICRBUAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505348; PubChem:CID136236982
|
Local ready
Direct docking supported
|
|
E3L058172
BDB058172
|
BDBM50505405
Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)N2CCOC[C@@H]2C3)cn1
|
C18H22N6O2 354.414000 |
QABQGNKUVHFGFL-ZDUSSCGKSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505405; PubChem:CID117995822
|
Local ready
Direct docking supported
|
|
E3L058173
BDB058173
|
BDBM50505406
C[C@H]1COCCN1c1nc(-c2ccc(N)nc2)nc2c1C[C@H]1COCCN21
|
C19H24N6O2 368.441000 |
FFFOZOQSDJISHN-JSGCOSHPSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505406; PubChem:CID155550972
|
Local ready
Direct docking supported
|
|
E3L058174
BDB058174
|
BDBM50505407
C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2c1C[C@@H]1COCCN21
|
C18H23N7O2 369.429000 |
QDNFQHRZXWGYKH-DGCLKSJQSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505407; PubChem:CID155511557
|
Local ready
Direct docking supported
|
|
E3L058175
BDB058175
|
BDBM50505408
Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3c(n2)N2CCOC[C@@H]2C3)cn1
|
C20H24N6O2 380.452000 |
VAELRJRCRJHXIF-NFOMZHRRSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505408; PubChem:CID155536585
|
Local ready
Direct docking supported
|
|
E3L058176
BDB058176
|
BDBM50505409
Cc1cc(-c2nc3c(c(N4CCOC[C@H]4C)n2)C[C@@H]2COCCN32)cnc1N
|
C20H26N6O2 382.468000 |
BYDYWUHVERVFMQ-UKRRQHHQSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505409; PubChem:CID155528779
|
Local ready
Direct docking supported
|
|
E3L058177
BDB058177
|
BDBM50505410
C[C@@H]1COCCN1c1nc(-c2cnc(N)cn2)nc2c1C[C@@H]1COCCN21
|
C18H23N7O2 369.429000 |
KUZSBKJSGSKPJH-VXGBXAGGSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505410; PubChem:CID139030535
|
Local ready
Direct docking supported
|
|
E3L058178
BDB058178
|
BDBM50505411
CC1(C)COCCN1c1nc(-c2ccc(N)nc2)nc2c1C[C@H]1COCCN21
|
C20H26N6O2 382.468000 |
PMJQDXRPCAZOAR-AWEZNQCLSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505411; PubChem:CID155565730
|
Local ready
Direct docking supported
|
|
E3L058179
BDB058179
|
BDBM50505412
COC(OC)c1nc(N)ncc1-c1nc2c(c(N3CCOC[C@H]3C)n1)C[C@@H]1COCCN21
|
C21H29N7O4 443.508000 |
UHRJFNHRWLOREP-CHWSQXEVSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505412; PubChem:CID155541206
|
Local ready
Direct docking supported
|
|
E3L058180
BDB058180
|
BDBM50505413
C[C@@H]1COCCN1c1nc(-c2ccc(N)nc2)nc2c1C[C@H]1COCCN21
|
C19H24N6O2 368.441000 |
FFFOZOQSDJISHN-OCCSQVGLSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505413; PubChem:CID155557022
|
Local ready
Direct docking supported
|