| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001061
BDB001061
|
BDBM27555
O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C27H23FN4O3 470.504000 |
WHJJMNMZCPAJAT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27555; PubChem:CID25133282
|
Local ready
Direct docking supported
|
|
E3L001062
BDB001062
|
BDBM27556
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(CCO)CC1
|
C22H24N4O3 392.459000 |
YFCCLSCQHDEBCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27556; PubChem:CID25133283
|
Local ready
Direct docking supported
|
|
E3L001063
BDB001063
|
BDBM27557
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(CCO)CC1
|
C22H23FN4O3 410.449000 |
IRTDHQQMWQZRMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27557; PubChem:CID25133629
|
Local ready
Direct docking supported
|
|
E3L001064
BDB001064
|
BDBM27558
CN1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C21H22N4O2 362.433000 |
IYCYPHAKLKOFJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27558; PubChem:CID25133630
|
Local ready
Direct docking supported
|
|
E3L001065
BDB001065
|
BDBM27559
CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C21H21FN4O2 380.423000 |
IVWVPBNVKQKJHI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27559; PubChem:CID25133631
|
Local ready
Direct docking supported
|
|
E3L001066
BDB001066
|
BDBM27560
CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H23FN4O2 394.450000 |
HMHYTYGWEUHDKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27560; PubChem:CID25133632
|
Local ready
Direct docking supported
|
|
E3L001067
BDB001067
|
BDBM27561
CCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H25FN4O2 408.477000 |
UEZOKVANUGXRIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27561; PubChem:CID25133633
|
Local ready
Direct docking supported
|
|
E3L001068
BDB001068
|
BDBM27562
CCCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C24H27FN4O2 422.504000 |
PIWSGZSNZZQFIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27562; PubChem:CID25133634
|
Local ready
Direct docking supported
|
|
E3L001069
BDB001069
|
BDBM27563
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(CC2CC2)CC1
|
C24H25FN4O2 420.488000 |
BEBQBKNPFJZANL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27563; PubChem:CID25133974
|
Local ready
Direct docking supported
|
|
E3L001070
BDB001070
|
BDBM27564
CC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H21FN4O3 408.433000 |
LKZONVZIQFMBNL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27564; PubChem:CID25133975
|
Local ready
Direct docking supported
|
|
E3L001071
BDB001071
|
BDBM27565
CCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H23FN4O3 422.460000 |
IBNIZTOVOPEHQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27565; PubChem:CID25133976
|
Local ready
Direct docking supported
|
|
E3L001072
BDB001072
|
Olaparib
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1
|
C24H23FN4O3 434.471000 |
FDLYAMZZIXQODN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27566; PubChem:CID23725625
|
Local ready
Direct docking supported
|
|
E3L001073
BDB001073
|
BDBM27567
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1
|
C26H27FN4O3 462.525000 |
QRMNSIPIDRZNIC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27567; PubChem:CID25133977
|
Local ready
Direct docking supported
|
|
E3L001074
BDB001074
|
BDBM27568
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCCC2)CC1
|
C27H29FN4O3 476.552000 |
YNIPVLULLQATKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27568; PubChem:CID25133979
|
Local ready
Direct docking supported
|
|
E3L001075
BDB001075
|
BDBM27569
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCO2)CC1
|
C25H25FN4O4 464.497000 |
ZNOCPAABZHOLJK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27569; PubChem:CID25133978
|
Local ready
Direct docking supported
|
|
E3L001076
BDB001076
|
BDBM27570
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCOC2)CC1
|
C25H25FN4O4 464.497000 |
LFBIBRZDFVGXGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27570; PubChem:CID25128834
|
Local ready
Direct docking supported
|
|
E3L001077
BDB001077
|
4-Benzyl-1(2H)-phthalazinone
O=c1[nH]nc(Cc2ccccc2)c2ccccc12
|
C15H12N2O 236.274000 |
JUCCMEHWBGPJKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27660; PubChem:CID616651
|
Local ready
Direct docking supported
|
|
E3L001078
BDB001078
|
BDBM27661
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(C(=O)C2CCCC2)CC1
|
C26H28N4O3 444.535000 |
FMZBOHDOXHDWPM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27661; PubChem:CID25218483
|
Local ready
Direct docking supported
|
|
E3L001079
BDB001079
|
BDBM27662
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C29H28N4O4 496.567000 |
SPXYGEVHERLLRQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27662; PubChem:CID25218484
|
Local ready
Direct docking supported
|
|
E3L001080
BDB001080
|
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCNCC2)c1
|
C19H21N3O3 339.395000 |
UKDWVGYGPSCEBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27663; PubChem:CID25218485
|
Local ready
Direct docking supported
|