| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017621
BDB017621
|
BDBM419741
CCN(C)C(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C27H32FN5O2 477.584000 |
OTVYPCDDCCRLRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419741; PubChem:CID124134744
|
Local ready
Direct docking supported
|
|
E3L017622
BDB017622
|
BDBM419742
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1Cl
|
C25H28ClN5O2 465.985000 |
BPWNUTSKZNJOAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419742; PubChem:CID124134743
|
Local ready
Direct docking supported
|
|
E3L017623
BDB017623
|
BDBM419743
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1Cl
|
C26H30ClN5O2 480.012000 |
FHQJOMRJKRMAOH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419743; PubChem:CID124134810
|
Local ready
Direct docking supported
|
|
E3L017624
BDB017624
|
BDBM419744
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1Cl
|
C27H30ClN5O2 492.023000 |
GYUCFGYTWSIWKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419744; PubChem:CID124134805
|
Local ready
Direct docking supported
|
|
E3L017625
BDB017625
|
BDBM419745
CCOC(=O)c1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ccc1Cl
|
C26H29ClN4O3 480.996000 |
OVFPOIHKJOMJMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419745; PubChem:CID124134809
|
Local ready
Direct docking supported
|
|
E3L017626
BDB017626
|
BDBM419746
CCNC(=O)c1cc(F)c(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C26H29F2N5O2 481.547000 |
FWZKUFCCKVNCSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419746; PubChem:CID124134808
|
Local ready
Direct docking supported
|
|
E3L017627
BDB017627
|
BDBM419747
O=C(NC1CC1)c1cc(F)c(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C27H29F2N5O2 493.558000 |
QSDUGBPLSHIMHQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419747; PubChem:CID124134846
|
Local ready
Direct docking supported
|
|
E3L017628
BDB017628
|
BDBM419748
O=c1[nH]c2cc(CN3CCN(c4ccccn4)CC3)ccc2c2c1CCCN2
|
C22H25N5O 375.476000 |
XAYYEWSLLDWCNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419748; PubChem:CID124134831
|
Local ready
Direct docking supported
|
|
E3L017629
BDB017629
|
BDBM419749
O=c1[nH]c2cc(CN3CCN(c4cc(C(F)(F)F)ccn4)CC3)ccc2c2c1CCCN2
|
C23H24F3N5O 443.473000 |
CSHZFSCKVFWPSP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419749; PubChem:CID124134832
|
Local ready
Direct docking supported
|
|
E3L017630
BDB017630
|
BDBM419750
O=c1[nH]c2cc(CN3CCN(c4ncccc4C(F)(F)F)CC3)ccc2c2c1CCCN2
|
C23H24F3N5O 443.473000 |
NOLUVGZMWZBMIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419750; PubChem:CID124134835
|
Local ready
Direct docking supported
|
|
E3L017631
BDB017631
|
Nesuparib
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C23H24N6O 400.486000 |
GRPXLKXGJAGYSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419751; PubChem:CID124134768
|
Local ready
Direct docking supported
|
|
E3L017632
BDB017632
|
BDBM419752
Cc1cccnc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C23H27N5O 389.503000 |
UCQAPUVIUAYEGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419752; PubChem:CID124134777
|
Local ready
Direct docking supported
|
|
E3L017633
BDB017633
|
BDBM419753
Cc1cc(F)cnc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C23H26FN5O 407.493000 |
SJYGJUQORXZRIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419753; PubChem:CID124134773
|
Local ready
Direct docking supported
|
|
E3L017634
BDB017634
|
BDBM419754
O=c1[nH]c2cc(CN3CCN(c4cnccn4)CC3)ccc2c2c1CCCN2
|
C21H24N6O 376.464000 |
ICWAHMDHBIKSJI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419754; PubChem:CID124134769
|
Local ready
Direct docking supported
|
|
E3L017635
BDB017635
|
BDBM419755
O=c1[nH]c2cc(CN3CCN(c4ccc(Cl)nn4)CC3)ccc2c2c1CCCN2
|
C21H23ClN6O 410.909000 |
DRPXVULWOOOZDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419755; PubChem:CID124134877
|
Local ready
Direct docking supported
|
|
E3L017636
BDB017636
|
BDBM419756
O=c1[nH]c2cc(CN3CCN(c4ncc(Cl)cc4Cl)CC3)ccc2c2c1CCCN2
|
C22H23Cl2N5O 444.366000 |
PVIVFFQABAVRDM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419756; PubChem:CID124134875
|
Local ready
Direct docking supported
|
|
E3L017637
BDB017637
|
BDBM419757
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C24H28N6O2 432.528000 |
RZVRCAKYGAURIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419757; PubChem:CID124134874
|
Local ready
Direct docking supported
|
|
E3L017638
BDB017638
|
BDBM419758
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C25H30N6O2 446.555000 |
OUERNEXEYTUWRZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419758; PubChem:CID124134876
|
Local ready
Direct docking supported
|
|
E3L017639
BDB017639
|
BDBM419759
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C26H30N6O2 458.566000 |
QWQRHMZFZSWUOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419759; PubChem:CID124134873
|
Local ready
Direct docking supported
|
|
E3L017640
BDB017640
|
BDBM419760
O=c1[nH]c2cc(CN3CCN(c4nccs4)CC3)ccc2c2c1CCCN2
|
C20H23N5OS 381.505000 |
AFWLAWBSENRTOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419760; PubChem:CID124134884
|
Local ready
Direct docking supported
|