| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017561
BDB017561
|
BDBM419681
CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C26H32N6O2 460.582000 |
ATZRDXNHVXPVQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419681; PubChem:CID134595864
|
Local ready
Direct docking supported
|
|
E3L017562
BDB017562
|
BDBM419682
Cc1cc(CN2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C27H32N6O2 472.593000 |
TXEURJXGVKZFFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419682; PubChem:CID134595851
|
Local ready
Direct docking supported
|
|
E3L017563
BDB017563
|
BDBM419683
Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C24H27ClN4O 422.960000 |
SQJUTIZQKMHZGO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419683; PubChem:CID134595847
|
Local ready
Direct docking supported
|
|
E3L017564
BDB017564
|
BDBM419684
Cc1cc(CN2CCN(c3ccc(Br)cc3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C24H27BrN4O 467.411000 |
MTGCLPPGFMOPMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419684; PubChem:CID134595845
|
Local ready
Direct docking supported
|
|
E3L017565
BDB017565
|
BDBM419685
Cc1cc(CN2CCN(c3ccc(C#N)cc3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C25H27N5O 413.525000 |
KKANTQJDUCBCKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419685; PubChem:CID134595832
|
Local ready
Direct docking supported
|
|
E3L017566
BDB017566
|
BDBM419686
Cc1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C25H26FN5O 431.515000 |
FXYBIPFIJFMLFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419686; PubChem:CID134595857
|
Local ready
Direct docking supported
|
|
E3L017567
BDB017567
|
BDBM419687
Cc1cc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C25H26ClN5O 447.970000 |
RFYLNCIFESQDKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419687; PubChem:CID134595850
|
Local ready
Direct docking supported
|
|
E3L017568
BDB017568
|
BDBM419688
Cc1cc(C#N)ccc1N1CCN(Cc2cc(C)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C26H29N5O 427.552000 |
RKTZVELYHSVFQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419688; PubChem:CID134595858
|
Local ready
Direct docking supported
|
|
E3L017569
BDB017569
|
BDBM419689
Cc1cc(F)ccc1N1CCN(Cc2cc(C)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C25H29FN4O 420.532000 |
BKKVPUOMFUDXGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419689; PubChem:CID134595848
|
Local ready
Direct docking supported
|
|
E3L017570
BDB017570
|
BDBM419690
Cc1cc(CN2CCN(c3c(F)cc(C#N)cc3F)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C25H25F2N5O 449.505000 |
SVYMQJHFUJXSED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419690; PubChem:CID134595852
|
Local ready
Direct docking supported
|
|
E3L017571
BDB017571
|
BDBM419691
Cc1cc(CN2CCN(c3ccc(C#N)c(F)c3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C25H26FN5O 431.515000 |
QPUPKVDVCFODAU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419691; PubChem:CID134595865
|
Local ready
Direct docking supported
|
|
E3L017572
BDB017572
|
BDBM419692
CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1
|
C27H33N5O2 459.594000 |
ODAYDMANAIFTDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419692; PubChem:CID134595874
|
Local ready
Direct docking supported
|
|
E3L017573
BDB017573
|
BDBM419693
CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C26H30FN5O2 463.557000 |
ONQFIXAEJZFVTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419693; PubChem:CID134595853
|
Local ready
Direct docking supported
|
|
E3L017574
BDB017574
|
BDBM419694
CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C27H32FN5O2 477.584000 |
XYJRTRKAKONQJM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419694; PubChem:CID134595854
|
Local ready
Direct docking supported
|
|
E3L017575
BDB017575
|
BDBM419695
CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Cl)c1
|
C27H32ClN5O2 494.039000 |
YVYSBUNBIIZNCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419695; PubChem:CID134595833
|
Local ready
Direct docking supported
|
|
E3L017576
BDB017576
|
BDBM419696
Cc1cc(CN2CCN(c3ccc(C(=O)NC4CC4)cc3Cl)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C28H32ClN5O2 506.050000 |
XYTQGDDYZGHIPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419696; PubChem:CID134595859
|
Local ready
Direct docking supported
|
|
E3L017577
BDB017577
|
BDBM419697
CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Cl)c1
|
C26H30ClN5O2 480.012000 |
YHKVYBKWFQIQHH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419697; PubChem:CID134595834
|
Local ready
Direct docking supported
|
|
E3L017578
BDB017578
|
BDBM419698
CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(C)c1
|
C27H33N5O2 459.594000 |
ZWNCJJRBTSHNSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419698; PubChem:CID134595838
|
Local ready
Direct docking supported
|
|
E3L017579
BDB017579
|
BDBM419699
CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(C)c1
|
C28H35N5O2 473.621000 |
USVWYSZMSMGXJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419699; PubChem:CID134595866
|
Local ready
Direct docking supported
|
|
E3L017580
BDB017580
|
BDBM419700
Cc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(C)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C29H35N5O2 485.632000 |
QZNLPJYAQIKISP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419700; PubChem:CID134595870
|
Local ready
Direct docking supported
|