| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017601
BDB017601
|
BDBM419721
O=c1[nH]c2cc(CN3CCN(c4ccc([N+](=O)[O-])cc4F)CC3)ccc2c2c1CCCN2
|
C23H24FN5O3 437.475000 |
FSMWUPKLEUOWTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419721; PubChem:CID124134804
|
Local ready
Direct docking supported
|
|
E3L017602
BDB017602
|
BDBM419722
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C24H24FN5O 417.488000 |
FJOFREJOLJFMNF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419722; PubChem:CID124134812
|
Local ready
Direct docking supported
|
|
E3L017603
BDB017603
|
BDBM419723
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1Cl
|
C24H24ClN5O 433.943000 |
VAOQBNBDBKHNQY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419723; PubChem:CID124134838
|
Local ready
Direct docking supported
|
|
E3L017604
BDB017604
|
BDBM419724
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1C(F)(F)F
|
C25H24F3N5O 467.495000 |
AXAVOVXYAFPCSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419724; PubChem:CID124134839
|
Local ready
Direct docking supported
|
|
E3L017605
BDB017605
|
BDBM419725
Cc1cc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)ccc1C#N
|
C25H27N5O 413.525000 |
FBIGNDFZRCUSDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419725; PubChem:CID124134845
|
Local ready
Direct docking supported
|
|
E3L017606
BDB017606
|
BDBM419726
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(C)c1
|
C27H33N5O2 459.594000 |
NZDMYHLPDHCLGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419726; PubChem:CID124134830
|
Local ready
Direct docking supported
|
|
E3L017607
BDB017607
|
BDBM419727
Cc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C28H33N5O2 471.605000 |
CDELRUCHGDJWNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419727; PubChem:CID124134771
|
Local ready
Direct docking supported
|
|
E3L017608
BDB017608
|
BDBM419728
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C25H28FN5O2 449.530000 |
MGFDCSFBWGIIJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419728; PubChem:CID124134772
|
Local ready
Direct docking supported
|
|
E3L017609
BDB017609
|
BDBM419729
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C26H30FN5O2 463.557000 |
INRRUWSEBDJLPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419729; PubChem:CID124134775
|
Local ready
Direct docking supported
|
|
E3L017610
BDB017610
|
BDBM419730
CCC(=O)Nc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C26H30FN5O2 463.557000 |
JGIHYUWTUFLIMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419730; PubChem:CID124134774
|
Local ready
Direct docking supported
|
|
E3L017611
BDB017611
|
BDBM419731
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C27H30FN5O2 475.568000 |
IXNZYKNOAINDTN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419731; PubChem:CID124134737
|
Local ready
Direct docking supported
|
|
E3L017612
BDB017612
|
BDBM419732
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Cl)c1
|
C25H28ClN5O2 465.985000 |
OLJYGSVADWZNIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419732; PubChem:CID124134725
|
Local ready
Direct docking supported
|
|
E3L017613
BDB017613
|
BDBM419733
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Cl)c1
|
C26H30ClN5O2 480.012000 |
MFPOWTKEAYCCGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419733; PubChem:CID124134728
|
Local ready
Direct docking supported
|
|
E3L017614
BDB017614
|
BDBM419734
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Cl)c1
|
C27H30ClN5O2 492.023000 |
CEGOEVTXZXXUSN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419734; PubChem:CID124134729
|
Local ready
Direct docking supported
|
|
E3L017615
BDB017615
|
BDBM419735
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Br)c1
|
C25H28BrN5O2 510.436000 |
SMSCYHHVBZIUMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419735; PubChem:CID124134740
|
Local ready
Direct docking supported
|
|
E3L017616
BDB017616
|
BDBM419736
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Br)c1
|
C26H30BrN5O2 524.463000 |
SCONNUWWGIRXAF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419736; PubChem:CID124134735
|
Local ready
Direct docking supported
|
|
E3L017617
BDB017617
|
BDBM419737
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Br)c1
|
C27H30BrN5O2 536.474000 |
XULZRMKGTVQSFV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419737; PubChem:CID134595878
|
Local ready
Direct docking supported
|
|
E3L017618
BDB017618
|
BDBM419738
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C25H28FN5O2 449.530000 |
XFINPBQKFDIRJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419738; PubChem:CID124134736
|
Local ready
Direct docking supported
|
|
E3L017619
BDB017619
|
BDBM419739
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C26H30FN5O2 463.557000 |
JKCHNICKXRIXAL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419739; PubChem:CID124134742
|
Local ready
Direct docking supported
|
|
E3L017620
BDB017620
|
BDBM419740
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C27H30FN5O2 475.568000 |
UOAHTPZUUUBPBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419740; PubChem:CID124134741
|
Local ready
Direct docking supported
|