| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051781
BDB051781
|
BDBM50309232
CNC1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CCCC1
|
C25H32FN5O3 469.561000 |
AIHVYRFQEKDZCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309232; PubChem:CID46230328
|
Local ready
Direct docking supported
|
|
E3L051782
BDB051782
|
BDBM50309233
CCNC1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CCCC1
|
C26H34FN5O3 483.588000 |
PBYQOFSQYLTOIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309233; PubChem:CID46230329
|
Local ready
Direct docking supported
|
|
E3L051783
BDB051783
|
BDBM50309234
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCCC4)CC3)c2)n[nH]c(=O)c1C
|
C28H36FN5O3 509.626000 |
YYUOOHZAZQBJQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309234; PubChem:CID46230330
|
Local ready
Direct docking supported
|
|
E3L051784
BDB051784
|
BDBM50309235
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(N5CCCC5)CCCC4)CC3)c2)n[nH]c(=O)c1C
|
C28H36FN5O3 509.626000 |
RGBUEKBEKGTQBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309235; PubChem:CID46230372
|
Local ready
Direct docking supported
|
|
E3L051785
BDB051785
|
BDBM50309236
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(Nc5ccccc5)CCCC4)CC3)c2)n[nH]c(=O)c1C
|
C30H34FN5O3 531.632000 |
JBRLKAQINFPJGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309236; PubChem:CID46230373
|
Local ready
Direct docking supported
|
|
E3L051786
BDB051786
|
BDBM50309237
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCCCC4)CC3)c2)n[nH]c(=O)c1C
|
C29H38FN5O3 523.653000 |
YDLDPHUTWRACHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309237; PubChem:CID46230374
|
Local ready
Direct docking supported
|
|
E3L051787
BDB051787
|
BDBM50309238
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCC4)CC3)c2)n[nH]c(=O)c1C
|
C27H34FN5O3 495.599000 |
FEUHRBBJDRJRJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309238; PubChem:CID46230422
|
Local ready
Direct docking supported
|
|
E3L051788
BDB051788
|
BDBM50309239
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(C)CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C24H30FN5O3 455.534000 |
NLDJQNDOIRHNPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309239; PubChem:CID46216738
|
Local ready
Direct docking supported
|
|
E3L051789
BDB051789
|
BDBM50309240
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@]4(C)CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C24H30FN5O3 455.534000 |
NLDJQNDOIRHNPD-DEOSSOPVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309240; PubChem:CID24821029
|
Local ready
Direct docking supported
|
|
E3L051790
BDB051790
|
BDBM50309241
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(C)CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C24H30FN5O3 455.534000 |
NLDJQNDOIRHNPD-XMMPIXPASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309241; PubChem:CID46216737
|
Local ready
Direct docking supported
|
|
E3L051791
BDB051791
|
BDBM50309242
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@H]4CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C23H28FN5O3 441.507000 |
ZBDIRHOICWZSET-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309242; PubChem:CID46230507
|
Local ready
Direct docking supported
|
|
E3L051792
BDB051792
|
BDBM50309243
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@H]4CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C23H28FN5O3 441.507000 |
ZBDIRHOICWZSET-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309243; PubChem:CID46230508
|
Local ready
Direct docking supported
|
|
E3L051793
BDB051793
|
BDBM50309244
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(C)CCCO4)CC3)c2)n[nH]c(=O)c1C
|
C24H29FN4O4 456.518000 |
NKATWYYGJVSWOO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309244; PubChem:CID46230509
|
Local ready
Direct docking supported
|
|
E3L051794
BDB051794
|
BDBM50309245
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4CCNC4)CC3)c2)n[nH]c(=O)c1C
|
C23H28FN5O3 441.507000 |
SPTBVSCVCJAIRX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309245; PubChem:CID46230510
|
Local ready
Direct docking supported
|
|
E3L051795
BDB051795
|
BDBM50309246
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(C)CCCCN4)CC3)c2)n[nH]c(=O)c1C
|
C25H32FN5O3 469.561000 |
LOOYIMRWSDOAKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309246; PubChem:CID46229747
|
Local ready
Direct docking supported
|
|
E3L051796
BDB051796
|
BDBM50309247
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(C)CCN4)CC3)c2)n[nH]c(=O)c1C
|
C23H28FN5O3 441.507000 |
DSDZABPPHWDVRD-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309247; PubChem:CID24821031
|
Local ready
Direct docking supported
|
|
E3L051797
BDB051797
|
BDBM50309248
CCC1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CCCN1
|
C25H32FN5O3 469.561000 |
PJEXBKAIGHDYCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309248; PubChem:CID46229748
|
Local ready
Direct docking supported
|
|
E3L051798
BDB051798
|
BDBM50309249
C=CCC1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CCCN1
|
C26H32FN5O3 481.572000 |
BPNZSNBHBMBOPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309249; PubChem:CID46229749
|
Local ready
Direct docking supported
|
|
E3L051799
BDB051799
|
BDBM50309250
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(Cc5ccccc5)CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C30H34FN5O3 531.632000 |
OZYGNUDTAZNWSK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309250; PubChem:CID46229796
|
Local ready
Direct docking supported
|
|
E3L051800
BDB051800
|
BDBM50309251
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(Cc5ccc(F)cc5)CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C30H33F2N5O3 549.622000 |
HLSPKSKIHXWFRR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309251; PubChem:CID46216801
|
Local ready
Direct docking supported
|