| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039621
BDB039621
|
BDBM756624
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3occc34)CC2)c(F)n1
|
C23H22FN5O3 435.459000 |
FGYVNBTVFXTPDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756624; PubChem:CID172560018
|
Local ready
Direct docking supported
|
|
E3L039622
BDB039622
|
BDBM756625
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3occc34)CC2)cn1
|
C23H23N5O3 417.469000 |
MVLQBTNVYGLHLJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756625; PubChem:CID172560057
|
Local ready
Direct docking supported
|
|
E3L039623
BDB039623
|
BDBM756626
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cocc54)c3F)CC2)c(F)n1
|
C23H21F2N5O3 453.449000 |
KFGBYSPMOSRKQE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756626; PubChem:CID172560232
|
Local ready
Direct docking supported
|
|
E3L039624
BDB039624
|
BDBM756628
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)n5nccc5c4cc3F)CC2)c(F)n1
|
C22H21F2N7O2 453.453000 |
HRTOLPFSQSROQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756628; PubChem:CID172560100
|
Local ready
Direct docking supported
|
|
E3L039625
BDB039625
|
BDBM756629
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)CC2)c(C)n1
|
C23H23F2N7O2 467.480000 |
GNFOYNKMBALVOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756629; PubChem:CID169781554
|
Local ready
Direct docking supported
|
|
E3L039626
BDB039626
|
BDBM756631
Cc1cnn2c1c(=O)[nH]c1c(F)c(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)ccc12
|
C25H25F2N7O2 493.518000 |
VKONWDRHMRHORV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756631; PubChem:CID169266007
|
Local ready
Direct docking supported
|
|
E3L039627
BDB039627
|
BDBM756632
CNC(=O)c1ncc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)cc1F
|
C23H23F2N7O2 467.480000 |
IEJFYBWWOFTCCL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756632; PubChem:CID172560177
|
Local ready
Direct docking supported
|
|
E3L039628
BDB039628
|
US20250215013, Example 128
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(C#N)n1
|
C24H23FN8O2 474.500000 |
IFSWMRYKGYFGKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756633; PubChem:CID172560200
|
Local ready
Direct docking supported
|
|
E3L039629
BDB039629
|
BDBM756634
Cc1cnn2c1c(=O)[nH]c1c(F)c(CN3CCN(c4ccc(C(=O)NCC(F)F)nc4F)CC3)ccc12
|
C24H23F4N7O2 517.487000 |
RWKCEMDPEUVXBH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756634; PubChem:CID169266017
|
Local ready
Direct docking supported
|
|
E3L039630
BDB039630
|
BDBM756635
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(Cl)n1
|
C23H23ClFN7O2 483.935000 |
TUVURIJSFPDGOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756635; PubChem:CID172560220
|
Local ready
Direct docking supported
|
|
E3L039631
BDB039631
|
BDBM756636
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(C(F)(F)F)n1
|
C24H23F4N7O2 517.487000 |
MNYRGTQKMZAQTE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756636; PubChem:CID172560216
|
Local ready
Direct docking supported
|
|
E3L039632
BDB039632
|
BDBM756637
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)n3cc(C)nc43)CC2)c(C)n1
|
C24H26FN7O2 463.517000 |
URCVWNDRSBFBMR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756637; PubChem:CID172560172
|
Local ready
Direct docking supported
|
|
E3L039633
BDB039633
|
BDBM756638
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)n3cc(C)nc43)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
FBFODWQRNOVLGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756638; PubChem:CID172560052
|
Local ready
Direct docking supported
|
|
E3L039634
BDB039634
|
BDBM756639
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5cc(C)nc45)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
CWCSSFGXAPDMQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756639; PubChem:CID172560135
|
Local ready
Direct docking supported
|
|
E3L039635
BDB039635
|
BDBM756641
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5c(C)cnc45)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
AEEOOAOQAXRCNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756641; PubChem:CID172560122
|
Local ready
Direct docking supported
|
|
E3L039636
BDB039636
|
BDBM756642
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cocc34)CC2)c(F)n1
|
C23H22FN5O3 435.459000 |
BIPYPQGWHHULTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756642; PubChem:CID172560046
|
Local ready
Direct docking supported
|
|
E3L039637
BDB039637
|
BDBM756644
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3nocc34)CC2)c(F)n1
|
C22H21FN6O3 436.447000 |
HCNQBHIZMIYRNP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756644; PubChem:CID172560054
|
Local ready
Direct docking supported
|
|
E3L039638
BDB039638
|
BDBM756645
O=C(NCC(F)F)c1ccc(N2CCN(Cc3ccc4c(c3F)NC(=O)C3OC=CC43)CC2)c(F)n1
|
C24H23F4N5O3 505.472000 |
NYXBREOANVFOSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756645; PubChem:CID176807957
|
Local ready
Direct docking supported
|
|
E3L039639
BDB039639
|
BDBM756646
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cc(C)nn54)c3F)CC2)c(Cl)n1
|
C23H23ClFN7O2 483.935000 |
AITAEMJNDDJXFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756646; PubChem:CID172560035
|
Local ready
Direct docking supported
|
|
E3L039640
BDB039640
|
BDBM756647
CNC(=O)c1ccc(C2=CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)cn1
|
C24H23FN6O2 446.486000 |
ATXKGBQFSLJTIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756647; PubChem:CID172560174
|
Local ready
Direct docking supported
|