| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050721
BDB050721
|
BDBM50276667
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(CC2CC2)CC1
|
C24H24F2N4O2 438.478000 |
KWXWPGMPFMOVTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276667; PubChem:CID145971228
|
Local ready
Direct docking supported
|
|
E3L050722
BDB050722
|
BDBM50276668
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
|
C26H21F2N5O4 505.481000 |
IAZPGWHISVGGID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276668; PubChem:CID145949176
|
Local ready
Direct docking supported
|
|
E3L050723
BDB050723
|
BDBM50276669
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccccn2)CC1
|
C25H21F2N5O2 461.472000 |
DMKZDPOSQCHHJM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276669; PubChem:CID145949586
|
Local ready
Direct docking supported
|
|
E3L050724
BDB050724
|
BDBM50276670
Cc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)cc(F)c3F)CC2)cc1
|
C28H24F2N4O3 502.521000 |
CRXJBZUWJMVHLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276670; PubChem:CID145957591
|
Local ready
Direct docking supported
|
|
E3L050725
BDB050725
|
BDBM50276681
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccccc2F)CC1
|
C26H21F3N4O2 478.474000 |
FXXXYBIWOHKHNL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276681; PubChem:CID145949467
|
Local ready
Direct docking supported
|
|
E3L050726
BDB050726
|
BDBM50276692
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2nccc(Br)n2)CC1
|
C24H19BrF2N6O2 541.356000 |
NYMXZFUBMIBRGA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276692; PubChem:CID145962288
|
Local ready
Direct docking supported
|
|
E3L050727
BDB050727
|
BDBM50276693
CC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C22H20F2N4O3 426.423000 |
ZPLKMDUVQUPQDW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276693; PubChem:CID145951996
|
Local ready
Direct docking supported
|
|
E3L050728
BDB050728
|
BDBM50276694
CCCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C24H26F2N4O2 440.494000 |
JRXMRVYIFBOVPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276694; PubChem:CID145950752
|
Local ready
Direct docking supported
|
|
E3L050729
BDB050729
|
BDBM50276695
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(Cc2ccccc2)CC1
|
C27H24F2N4O2 474.511000 |
CPEBFTPFYORQDZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276695; PubChem:CID145960996
|
Local ready
Direct docking supported
|
|
E3L050730
BDB050730
|
BDBM50276696
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc(Cl)cc2)CC1
|
C26H21ClF2N4O2 494.929000 |
ZWLYXPKUZMHTFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276696; PubChem:CID145950461
|
Local ready
Direct docking supported
|
|
E3L050731
BDB050731
|
BDBM50276697
N#Cc1ccccc1N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C27H21F2N5O2 485.494000 |
QYKXCWULIIPAOP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276697; PubChem:CID145955534
|
Local ready
Direct docking supported
|
|
E3L050732
BDB050732
|
BDBM50276698
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2ccccc2O)CC1
|
C26H22F2N4O3 476.483000 |
TUQWTNPWGXKWNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276698; PubChem:CID145952366
|
Local ready
Direct docking supported
|
|
E3L050733
BDB050733
|
BDBM50276699
N#Cc1cccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)cc(F)c3F)CC2)n1
|
C26H20F2N6O2 486.482000 |
YBRFASBDVAVMNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276699; PubChem:CID145956805
|
Local ready
Direct docking supported
|
|
E3L050734
BDB050734
|
BDBM50276702
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(c2nsc3ccccc23)CC1
|
C27H21F2N5O2S 517.561000 |
PHNQQOJRKMXQHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276702; PubChem:CID145956303
|
Local ready
Direct docking supported
|
|
E3L050735
BDB050735
|
BDBM50276703
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(C(=O)C2CC2)CC1
|
C24H22F2N4O3 452.461000 |
XXDGNQPNBGGJQN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276703; PubChem:CID145956391
|
Local ready
Direct docking supported
|
|
E3L050736
BDB050736
|
BDBM50276704
O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)cc(F)c2F)CC1
|
C27H22F2N4O3 488.494000 |
ORWPZPGKOZGXIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276704; PubChem:CID145957773
|
Local ready
Direct docking supported
|
|
E3L050737
BDB050737
|
BDBM50276705
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(C(=O)C2CCCO2)CC1
|
C25H24F2N4O4 482.487000 |
XFRXRPJBRQUNFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276705; PubChem:CID145952328
|
Local ready
Direct docking supported
|
|
E3L050738
BDB050738
|
BDBM50276706
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(C(=O)N2CCOCC2)CC1
|
C25H25F2N5O4 497.502000 |
SDZQDINMTRCCNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276706; PubChem:CID145955681
|
Local ready
Direct docking supported
|
|
E3L050739
BDB050739
|
BDBM50276708
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(C2CCCC2)CC1
|
C25H26F2N4O2 452.505000 |
MHMRCPVBXPGVKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276708; PubChem:CID145954718
|
Local ready
Direct docking supported
|
|
E3L050740
BDB050740
|
BDBM50276709
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F)N1CCN(C2CCCCC2)CC1
|
C26H28F2N4O2 466.532000 |
IQRHWJRRMFXGAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50276709; PubChem:CID145949294
|
Local ready
Direct docking supported
|