| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054121
BDB054121
|
BDBM50364515
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1
|
C24H38N4O2 414.594000 |
GSHIVNXVDFLKOX-NYVOZVTQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364515; PubChem:CID57390796
|
Local ready
Direct docking supported
|
|
E3L054122
BDB054122
|
BDBM50364516
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CCCCC1
|
C24H36N4O4 444.576000 |
RDFCFNNDGHAMHX-YYWHXJBOSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364516; PubChem:CID57396086
|
Local ready
Direct docking supported
|
|
E3L054123
BDB054123
|
BDBM50364517
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCCC1
|
C24H36N4O3 428.577000 |
QBQUBJUVXAGSSR-XJABCFGWSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364517; PubChem:CID57397899
|
Local ready
Direct docking supported
|
|
E3L054124
BDB054124
|
BDBM50364518
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccccc2)C1)C1CCCCC1
|
C23H34N4O3 414.550000 |
UNVXHOVOKUNSOF-VDGAXYAQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364518; PubChem:CID57396085
|
Local ready
Direct docking supported
|
|
E3L054125
BDB054125
|
BDBM50364519
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(CCCc2ccccc2)C1)C1CCCCC1
|
C25H40N4O2 428.621000 |
DIEJGYBAQUPLIL-VJBMBRPKSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364519; PubChem:CID57392610
|
Local ready
Direct docking supported
|
|
E3L054126
BDB054126
|
BDBM50364520
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
|
C24H38N4O2 414.594000 |
YEYRAODZSYSNEM-NYVOZVTQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364520; PubChem:CID57397898
|
Local ready
Direct docking supported
|
|
E3L054127
BDB054127
|
BDBM50364521
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1
|
C23H36N4O2 400.567000 |
OIKYOABFOPRPEZ-YYWHXJBOSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364521; PubChem:CID57401295
|
Local ready
Direct docking supported
|
|
E3L054128
BDB054128
|
5-Fluoroquinazolin-4-ol
O=c1[nH]cnc2cccc(F)c12
|
C8H5FN2O 164.139000 |
UXEZULVIMJVIFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365134; PubChem:CID135495930
|
Local ready
Direct docking supported
|
|
E3L054129
BDB054129
|
5-Chloro-3,4-dihydroquinazolin-4-one
O=c1[nH]cnc2cccc(Cl)c12
|
C8H5ClN2O 180.594000 |
ZDPCOXNOQQRKCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365135; PubChem:CID135429916
|
Local ready
Direct docking supported
|
|
E3L054130
BDB054130
|
5-Methyl-4-quinazolone
Cc1cccc2nc[nH]c(=O)c12
|
C9H8N2O 160.176000 |
PXDDCBOOHGDLBL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365136; PubChem:CID135418758
|
Local ready
Direct docking supported
|
|
E3L054131
BDB054131
|
6-Fluoroquinazolin-4-ol
O=c1[nH]cnc2ccc(F)cc12
|
C8H5FN2O 164.139000 |
WCSMZAHKVXOYLH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365137; PubChem:CID135480520
|
Local ready
Direct docking supported
|
|
E3L054132
BDB054132
|
6-Chloroquinazolin-4(3H)-one
O=c1[nH]cnc2ccc(Cl)cc12
|
C8H5ClN2O 180.594000 |
GOBVWEUSCRFCPB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365138; PubChem:CID135402273
|
Local ready
Direct docking supported
|
|
E3L054133
BDB054133
|
6-Iodoquinazolin-4-one
O=c1[nH]cnc2ccc(I)cc12
|
C8H5IN2O 272.045000 |
PUGXMZKDRVGIHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365139; PubChem:CID135401666
|
Local ready
Direct docking supported
|
|
E3L054134
BDB054134
|
3,4-Dihydro-6-hydroxy-4-oxoquinazoline
O=c1[nH]cnc2ccc(O)cc12
|
C8H6N2O2 162.148000 |
QJRNXXLTDWMENM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365140; PubChem:CID135489577
|
Local ready
Direct docking supported
|
|
E3L054135
BDB054135
|
6-Methylquinazolin-4-ol
Cc1ccc2nc[nH]c(=O)c2c1
|
C9H8N2O 160.176000 |
JUCDXPIFJIVICL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365141; PubChem:CID135452442
|
Local ready
Direct docking supported
|
|
E3L054136
BDB054136
|
6-Nitro-3,4-dihydroquinazolin-4-one
O=c1[nH]cnc2ccc([N+](=O)[O-])cc12
|
C8H5N3O3 191.146000 |
MOBNCKURXDGQCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365142; PubChem:CID135398502
|
Local ready
Direct docking supported
|
|
E3L054137
BDB054137
|
6-Amino-3,4-dihydroquinazolin-4-one
Nc1ccc2nc[nH]c(=O)c2c1
|
C8H7N3O 161.164000 |
MAIZCACENPZNCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365143; PubChem:CID135478037
|
Local ready
Direct docking supported
|
|
E3L054138
BDB054138
|
7-(Trifluoromethyl)quinazolin-4-ol
O=c1[nH]cnc2cc(C(F)(F)F)ccc12
|
C9H5F3N2O 214.146000 |
PPQZFZZPLINSJL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365144; PubChem:CID135742245
|
Local ready
Direct docking supported
|
|
E3L054139
BDB054139
|
7-Methyl-4(3H)-quinazolinone
Cc1ccc2c(=O)[nH]cnc2c1
|
C9H8N2O 160.176000 |
APPHSAIPZPYEGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365145; PubChem:CID135452533
|
Local ready
Direct docking supported
|
|
E3L054140
BDB054140
|
8-Fluoro-3,4-dihydroquinazolin-4-one
O=c1[nH]cnc2c(F)cccc12
|
C8H5FN2O 164.139000 |
SMHLOFQPJIEWSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50365146; PubChem:CID135402695
|
Local ready
Direct docking supported
|