| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051621
BDB051621
|
BDBM50306197
CN1CCCCC1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C21H23N5O2 377.448000 |
CBTWKVIWLYXVTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306197; PubChem:CID46226304
|
Local ready
Direct docking supported
|
|
E3L051622
BDB051622
|
BDBM50306198
NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCOCC4)cc3)nc12
|
C20H21N5O3 379.420000 |
DPTMLZNTOJLFQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306198; PubChem:CID46226303
|
Local ready
Direct docking supported
|
|
E3L051623
BDB051623
|
BDBM50306199
NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCCC4)cc3)nc12
|
C21H23N5O2 377.448000 |
HCIQCRXWDRPCSE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306199; PubChem:CID46226302
|
Local ready
Direct docking supported
|
|
E3L051624
BDB051624
|
BDBM50306200
NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCC4)cc3)nc12
|
C20H21N5O2 363.421000 |
APVONESTVYOERI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306200; PubChem:CID46226301
|
Local ready
Direct docking supported
|
|
E3L051625
BDB051625
|
BDBM50306201
CN(C)CC(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C18H19N5O2 337.383000 |
CWVORNSWNQPHQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306201; PubChem:CID46226300
|
Local ready
Direct docking supported
|
|
E3L051626
BDB051626
|
BDBM50306202
NC(=O)c1cccc2cn(-c3cccc(C(=O)N4CCCNCC4)c3)nc12
|
C20H21N5O2 363.421000 |
APHGQDAJPZCXQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306202; PubChem:CID46226286
|
Local ready
Direct docking supported
|
|
E3L051627
BDB051627
|
BDBM50306203
NC(=O)c1cccc2cn(-c3ccc(C(=O)N4CCCNCC4)cc3)nc12
|
C20H21N5O2 363.421000 |
PDRUYQAWRBGOQZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306203; PubChem:CID46226285
|
Local ready
Direct docking supported
|
|
E3L051628
BDB051628
|
BDBM50306204
NC(=O)c1cccc2cn(-c3ccc(C(=O)Nc4ccncc4)cc3)nc12
|
C20H15N5O2 357.373000 |
BNJFCNFCPGNRBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306204; PubChem:CID46226284
|
Local ready
Direct docking supported
|
|
E3L051629
BDB051629
|
BDBM50306205
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCc4ccncc4)cc3)nc12
|
C21H17N5O2 371.400000 |
LPUWTXNWOOQQNV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306205; PubChem:CID46226283
|
Local ready
Direct docking supported
|
|
E3L051630
BDB051630
|
BDBM50306206
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCCN4CCOCC4)cc3)nc12
|
C21H23N5O3 393.447000 |
POINJFUROGHWOY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306206; PubChem:CID46226282
|
Local ready
Direct docking supported
|
|
E3L051631
BDB051631
|
BDBM50306207
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCCN4CCCCC4)cc3)nc12
|
C22H25N5O2 391.475000 |
ULVFRRVSDXFDPR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306207; PubChem:CID46226266
|
Local ready
Direct docking supported
|
|
E3L051632
BDB051632
|
BDBM50306208
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCCN4CCCC4)cc3)nc12
|
C21H23N5O2 377.448000 |
JYIUENDUXWJYGO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306208; PubChem:CID46226265
|
Local ready
Direct docking supported
|
|
E3L051633
BDB051633
|
BDBM50306209
CN(C)CCNC(=O)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C19H21N5O2 351.410000 |
PZOVYFCELJRSFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306209; PubChem:CID46226264
|
Local ready
Direct docking supported
|
|
E3L051634
BDB051634
|
BDBM50306210
CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C16H16N4O 280.331000 |
BNTVUFYBGXHEDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306210; PubChem:CID44549775
|
Local ready
Direct docking supported
|
|
E3L051635
BDB051635
|
BDBM50306241
CCN(CC)Cc1ccc(C(=O)N2CCc3cccc4c3C2CNC4=O)cc1
|
C23H27N3O2 377.488000 |
QDZQRHYQJZFYFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306241; PubChem:CID24772070
|
Local ready
Direct docking supported
|
|
E3L051636
BDB051636
|
BDBM50306242
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccc(Cl)cc1
|
C19H17ClN2O2 340.810000 |
ZMRHHDOXOICHOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306242; PubChem:CID24772777
|
Local ready
Direct docking supported
|
|
E3L051637
BDB051637
|
BDBM50306243
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1cccc(Cl)c1
|
C19H17ClN2O2 340.810000 |
BPRDXIZAXKMIMZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306243; PubChem:CID24772778
|
Local ready
Direct docking supported
|
|
E3L051638
BDB051638
|
BDBM50306244
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccccc1Cl
|
C19H17ClN2O2 340.810000 |
MZZAASZYRKORKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306244; PubChem:CID24772779
|
Local ready
Direct docking supported
|
|
E3L051639
BDB051639
|
BDBM50306245
COc1ccc(CC(=O)N2CCc3cccc4c3C2CNC4=O)cc1
|
C20H20N2O3 336.391000 |
PIIUYWVRMAZNBP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306245; PubChem:CID24771954
|
Local ready
Direct docking supported
|
|
E3L051640
BDB051640
|
BDBM50306246
COc1cccc(CC(=O)N2CCc3cccc4c3C2CNC4=O)c1
|
C20H20N2O3 336.391000 |
DCGBIYGHABWOMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306246; PubChem:CID46226423
|
Local ready
Direct docking supported
|