| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051601
BDB051601
|
BDBM50306177
CNCc1ccc(-n2cc3c(F)c(F)cc(C(N)=O)c3n2)cc1
|
C16H14F2N4O 316.311000 |
FZOVFQSNFTTWDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306177; PubChem:CID46226398
|
Local ready
Direct docking supported
|
|
E3L051602
BDB051602
|
BDBM50306178
CNCc1ccc(-n2cc3ccc(F)c(C(N)=O)c3n2)cc1
|
C16H15FN4O 298.321000 |
VAPIJKQVTBAYAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306178; PubChem:CID46226397
|
Local ready
Direct docking supported
|
|
E3L051603
BDB051603
|
BDBM50306179
CNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1
|
C16H15FN4O 298.321000 |
JASANHHOUGCVEF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306179; PubChem:CID46226396
|
Local ready
Direct docking supported
|
|
E3L051604
BDB051604
|
BDBM50306180
CNCc1ccc(-n2cc3c(F)ccc(C(N)=O)c3n2)cc1
|
C16H15FN4O 298.321000 |
IEABNMQRPROSDZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306180; PubChem:CID46226395
|
Local ready
Direct docking supported
|
|
E3L051605
BDB051605
|
BDBM50306181
CNCc1ccc(-n2cc3cc(Cl)cc(C(N)=O)c3n2)cc1
|
C16H15ClN4O 314.776000 |
RRHIPMGZRDBDIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306181; PubChem:CID46226380
|
Local ready
Direct docking supported
|
|
E3L051606
BDB051606
|
BDBM50306182
CNCc1ccc(-n2cc3c(Cl)ccc(C(N)=O)c3n2)cc1
|
C16H15ClN4O 314.776000 |
CQIIYLOAGYYBEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306182; PubChem:CID46226379
|
Local ready
Direct docking supported
|
|
E3L051607
BDB051607
|
BDBM50306183
CNCc1ccc(-n2nc3c(C(N)=O)cccc3c2Cl)cc1
|
C16H15ClN4O 314.776000 |
QWHFPWNHELQSDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306183; PubChem:CID46226378
|
Local ready
Direct docking supported
|
|
E3L051608
BDB051608
|
BDBM50306184
CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1F
|
C16H15FN4O 298.321000 |
JOSXDXHJMALKKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306184; PubChem:CID46226377
|
Local ready
Direct docking supported
|
|
E3L051609
BDB051609
|
BDBM50306185
CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1O
|
C16H16N4O2 296.330000 |
ZQZSVSDOTRUFQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306185; PubChem:CID46226376
|
Local ready
Direct docking supported
|
|
E3L051610
BDB051610
|
BDBM50306186
CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1OC
|
C17H18N4O2 310.357000 |
RMXNYGKHLCDIQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306186; PubChem:CID46226375
|
Local ready
Direct docking supported
|
|
E3L051611
BDB051611
|
BDBM50306187
CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F
|
C17H15F3N4O 348.328000 |
KJEJGHQKAMFWRU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306187; PubChem:CID46226354
|
Local ready
Direct docking supported
|
|
E3L051612
BDB051612
|
BDBM50306188
NC(=O)c1cccc2cn(-c3ccc(CNC(=O)C4CNC4)cc3)nc12
|
C19H19N5O2 349.394000 |
ABAKLAZDOCTBEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306188; PubChem:CID46226353
|
Local ready
Direct docking supported
|
|
E3L051613
BDB051613
|
BDBM50306189
CN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
|
C22H25N5O2 391.475000 |
NWAGWYQOJGTXLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306189; PubChem:CID46226352
|
Local ready
Direct docking supported
|
|
E3L051614
BDB051614
|
BDBM50306190
CN(Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1)C(=O)C1CNC1
|
C20H21N5O2 363.421000 |
KCNQJKWZLYMXQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306190; PubChem:CID46226351
|
Local ready
Direct docking supported
|
|
E3L051615
BDB051615
|
BDBM50306191
CN1CCCC(C(=O)N(C)Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
|
C23H27N5O2 405.502000 |
MYEWDYUTQCYOKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306191; PubChem:CID46226350
|
Local ready
Direct docking supported
|
|
E3L051616
BDB051616
|
BDBM50306192
NC(=O)c1cccc2cn(-c3ccc(NC(=O)C4CNC4)cc3)nc12
|
C18H17N5O2 335.367000 |
BVWZVVRCRCPWGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306192; PubChem:CID46226330
|
Local ready
Direct docking supported
|
|
E3L051617
BDB051617
|
BDBM50306193
CN1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C20H21N5O2 363.421000 |
MUALPBWISBWOSS-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306193; PubChem:CID46226329
|
Local ready
Direct docking supported
|
|
E3L051618
BDB051618
|
BDBM50306194
CN1CCC[C@H](C(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
|
C21H23N5O2 377.448000 |
KSJYCVBFZSQHMK-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306194; PubChem:CID46226328
|
Local ready
Direct docking supported
|
|
E3L051619
BDB051619
|
BDBM50306195
CN1CCC[C@@H](C(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
|
C21H23N5O2 377.448000 |
KSJYCVBFZSQHMK-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306195; PubChem:CID46226327
|
Local ready
Direct docking supported
|
|
E3L051620
BDB051620
|
BDBM50306196
CN1CCC(C(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1
|
C21H23N5O2 377.448000 |
DZORYJZYAWVJHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306196; PubChem:CID46226326
|
Local ready
Direct docking supported
|