| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018101
BDB018101
|
BDBM435412
Cn1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(cnn4C)c(=O)[nH]3)CC2)cn1
|
C22H29N7O3 439.520000 |
OOQHGTMJHBCFLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435412; PubChem:CID137239800
|
Local ready
Direct docking supported
|
|
E3L018102
BDB018102
|
BDBM435413
COc1ccc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(cnn4C)c(=O)[nH]3)CC2)cn1
|
C24H30N6O4 466.542000 |
SRAYYDCMTKRHDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435413; PubChem:CID137239804
|
Local ready
Direct docking supported
|
|
E3L018103
BDB018103
|
BDBM435414
COc1ncc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(cnn4C)c(=O)[nH]3)CC2)cc1C
|
C25H32N6O4 480.569000 |
HEJKSHFADGJFLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435414; PubChem:CID138490155
|
Local ready
Direct docking supported
|
|
E3L018104
BDB018104
|
BDBM435415
COc1ccc(C(=O)C2CCN(C(=O)COCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
|
C24H25N3O5 435.480000 |
UQSSCRPZDDBPIX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435415; PubChem:CID137218701
|
Local ready
Direct docking supported
|
|
E3L018105
BDB018105
|
BDBM435416
Cn1cc(C(=O)C2CCN(C(=O)COCc3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C21H23N5O4 409.446000 |
SJXSPWSYROZIMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435416; PubChem:CID137218683
|
Local ready
Direct docking supported
|
|
E3L018106
BDB018106
|
BDBM435417
COc1ccc(C(=O)C2CCN(C(=O)COCc3nc4ccccc4c(=O)[nH]3)CC2)cn1
|
C23H24N4O5 436.468000 |
ODDUCZHVBOGEBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435417; PubChem:CID137239847
|
Local ready
Direct docking supported
|
|
E3L018107
BDB018107
|
BDBM435418
COc1ccc(C(=O)C2CCN(C(=O)COCc3nc4c(F)cc(F)cc4c(=O)[nH]3)CC2)cc1
|
C24H23F2N3O5 471.460000 |
ZPTIGCVQFHKQDB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435418; PubChem:CID137239835
|
Local ready
Direct docking supported
|
|
E3L018108
BDB018108
|
BDBM435419
Cn1cc(C(=O)C2CCN(C(=O)COCc3nc4c(F)cccc4c(=O)[nH]3)CC2)cn1
|
C21H22FN5O4 427.436000 |
RJIONECKTUPQGG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435419; PubChem:CID177667203
|
Local ready
Direct docking supported
|
|
E3L018109
BDB018109
|
BDBM435420
COc1ccc(C(=O)C2CCN(C(=O)COCc3nc4c(F)cc(F)cc4c(=O)[nH]3)CC2)cn1
|
C23H22F2N4O5 472.448000 |
HANJAZOKICPNAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435420; PubChem:CID137239812
|
Local ready
Direct docking supported
|
|
E3L018110
BDB018110
|
BDBM435421
COc1ccc(C(=O)C2CCN(C(=O)NCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
|
C24H26N4O4 434.496000 |
JWTZFQHEWRUOBW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435421; PubChem:CID137218706
|
Local ready
Direct docking supported
|
|
E3L018111
BDB018111
|
BDBM435422
COc1ccc(C(=O)C2CCN(C(=O)N(C)CCc3nc4ccccc4c(=O)[nH]3)CC2)cc1
|
C25H28N4O4 448.523000 |
QFFQVTQVYJNUQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435422; PubChem:CID137239817
|
Local ready
Direct docking supported
|
|
E3L018112
BDB018112
|
BDBM435423
CN(CCc1nc2ccccc2c(=O)[nH]1)C(=O)N1CCC(C(=O)c2cnn(C)c2)CC1
|
C22H26N6O3 422.489000 |
PEOXTCZVHIZAKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435423; PubChem:CID137239802
|
Local ready
Direct docking supported
|
|
E3L018113
BDB018113
|
BDBM435425
CC(C)(CC(=O)N1CCC(C(=O)c2ccc(C(=O)O)cc2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C27H29N3O5 475.545000 |
LPJHLUNKDITEKL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435425; PubChem:CID137239838
|
Local ready
Direct docking supported
|
|
E3L018114
BDB018114
|
BDBM435427
CC(C)(CC(=O)N1CCC(C(=O)c2cccc(C(=O)O)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1
|
C27H29N3O5 475.545000 |
OCRURQUHABYGMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435427; PubChem:CID137239810
|
Local ready
Direct docking supported
|
|
E3L018115
BDB018115
|
BDBM435428
COC(=O)c1cccc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(C)cccc4c(=O)[nH]3)CC2)c1
|
C29H33N3O5 503.599000 |
PCRNXFSEUXATPP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435428; PubChem:CID137239827
|
Local ready
Direct docking supported
|
|
E3L018116
BDB018116
|
BDBM435429
Cc1cccc2c(=O)[nH]c(CC(C)(C)CC(=O)N3CCC(C(=O)c4cccc(C(=O)O)c4)CC3)nc12
|
C28H31N3O5 489.572000 |
ANMLHQJBUZSTOM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435429; PubChem:CID137239848
|
Local ready
Direct docking supported
|
|
E3L018117
BDB018117
|
BDBM435432
COC(=O)c1ccc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(C)cccc4c(=O)[nH]3)CC2)cc1C
|
C30H35N3O5 517.626000 |
GMZHCIWODQRBEX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435432; PubChem:CID137239807
|
Local ready
Direct docking supported
|
|
E3L018118
BDB018118
|
BDBM435433
Cc1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(C)cccc4c(=O)[nH]3)CC2)ccc1C(=O)O
|
C29H33N3O5 503.599000 |
ZMDXCCGWVIFDMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435433; PubChem:CID137239831
|
Local ready
Direct docking supported
|
|
E3L018119
BDB018119
|
BDBM435434
COC(=O)c1cccc(C(=O)C2CCN(C(=O)C[C@H](C)Cc3nc4c(C)cccc4c(=O)[nH]3)CC2)c1
|
C28H31N3O5 489.572000 |
MOMSZDNLTDTPMD-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435434; PubChem:CID137239805
|
Local ready
Direct docking supported
|
|
E3L018120
BDB018120
|
BDBM435435
COC(=O)c1cccc(C(=O)C2CCN(C(=O)C[C@@H](C)Cc3nc4c(C)cccc4c(=O)[nH]3)CC2)c1
|
C28H31N3O5 489.572000 |
MOMSZDNLTDTPMD-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM435435; PubChem:CID137239823
|
Local ready
Direct docking supported
|