| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017581
BDB017581
|
BDBM419701
O=c1[nH]c2cc(CN3CCN(c4ccccn4)CC3)cc(CO)c2c2c1CCCN2
|
C23H27N5O2 405.502000 |
IRVJFMHHDJQNGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419701; PubChem:CID134595871
|
Local ready
Direct docking supported
|
|
E3L017582
BDB017582
|
BDBM419702
Cc1cccnc1N1CCN(Cc2cc(CO)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C24H29N5O2 419.529000 |
CIOKGLCXEZJZCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419702; PubChem:CID134595868
|
Local ready
Direct docking supported
|
|
E3L017583
BDB017583
|
BDBM419703
O=c1[nH]c2cc(CN3CCN(c4ccc(F)cn4)CC3)cc(CO)c2c2c1CCCN2
|
C23H26FN5O2 423.492000 |
KHMYSTLGXJKWNH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419703; PubChem:CID134595862
|
Local ready
Direct docking supported
|
|
E3L017584
BDB017584
|
BDBM419704
N#Cc1ccc(N2CCN(Cc3cc(CO)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1
|
C25H27N5O2 429.524000 |
GKGAHKSOBBJTFD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419704; PubChem:CID134595872
|
Local ready
Direct docking supported
|
|
E3L017585
BDB017585
|
BDBM419705
Cc1cc(F)ccc1N1CCN(Cc2cc(CO)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C25H29FN4O2 436.531000 |
DBUOJFUAVOVDBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419705; PubChem:CID134595863
|
Local ready
Direct docking supported
|
|
E3L017586
BDB017586
|
BDBM419706
Cc1cc(C#N)ccc1N1CCN(Cc2cc(CO)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C26H29N5O2 443.551000 |
PIGMESWGBPFZJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419706; PubChem:CID134595873
|
Local ready
Direct docking supported
|
|
E3L017587
BDB017587
|
BDBM419707
N#Cc1ccc(N2CCN(Cc3cc(CO)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C25H26FN5O2 447.514000 |
DJSYFHWYIODWAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419707; PubChem:CID134595856
|
Local ready
Direct docking supported
|
|
E3L017588
BDB017588
|
BDBM419708
N#Cc1cc(F)c(N2CCN(Cc3cc(CO)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C25H25F2N5O2 465.504000 |
LMZJFDVGMCBSEG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419708; PubChem:CID134595839
|
Local ready
Direct docking supported
|
|
E3L017589
BDB017589
|
BDBM419709
N#Cc1ccc(N2CCN(Cc3cc(CO)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cc1F
|
C25H26FN5O2 447.514000 |
HUVMXOWMISUCKZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419709; PubChem:CID134595876
|
Local ready
Direct docking supported
|
|
E3L017590
BDB017590
|
BDBM419710
O=c1[nH]c2cc(CN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCCN2
|
C23H25FN4O 392.478000 |
KOMGSVVWXUEBNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419710; PubChem:CID124134727
|
Local ready
Direct docking supported
|
|
E3L017591
BDB017591
|
BDBM419711
Cc1cc(F)ccc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C24H27FN4O 406.505000 |
ODNJLOJFFTWPLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419711; PubChem:CID124134739
|
Local ready
Direct docking supported
|
|
E3L017592
BDB017592
|
BDBM419712
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C24H24FN5O 417.488000 |
ZMRSDMLCFJDLKR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419712; PubChem:CID124134726
|
Local ready
Direct docking supported
|
|
E3L017593
BDB017593
|
BDBM419713
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Cl)c1
|
C24H24ClN5O 433.943000 |
DILZMEVBCHRKIZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419713; PubChem:CID124134865
|
Local ready
Direct docking supported
|
|
E3L017594
BDB017594
|
BDBM419714
N#Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Br)c1
|
C24H24BrN5O 478.394000 |
HPNPGKDJVPSETA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419714; PubChem:CID124134862
|
Local ready
Direct docking supported
|
|
E3L017595
BDB017595
|
BDBM419715
Cc1cc(C#N)ccc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C25H27N5O 413.525000 |
SVYQAPDHJLXDGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419715; PubChem:CID124134866
|
Local ready
Direct docking supported
|
|
E3L017596
BDB017596
|
BDBM419716
COc1cc(C#N)ccc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C25H27N5O2 429.524000 |
WEFPHDYTHUNVAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419716; PubChem:CID124134863
|
Local ready
Direct docking supported
|
|
E3L017597
BDB017597
|
BDBM419717
CCN(CC)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C27H34FN5O 463.601000 |
PNQIBGYBCXKNIM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419717; PubChem:CID124134864
|
Local ready
Direct docking supported
|
|
E3L017598
BDB017598
|
BDBM419718
CC(=O)c1cc(C#N)ccc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C26H27N5O2 441.535000 |
CINNRILLZCDNOZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419718; PubChem:CID124134806
|
Local ready
Direct docking supported
|
|
E3L017599
BDB017599
|
BDBM419719
N#Cc1ccc(F)cc1N1CCN(Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C24H24FN5O 417.488000 |
IWIRGSJMTCVGQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419719; PubChem:CID124134807
|
Local ready
Direct docking supported
|
|
E3L017600
BDB017600
|
BDBM419720
N#Cc1cc(F)c(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(F)c1
|
C24H23F2N5O 435.478000 |
MCCBTXRJCXUYOY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419720; PubChem:CID124134811
|
Local ready
Direct docking supported
|