| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029701
BDB029701
|
BDBM595792
CNC(=O)c1ccc(N2CCN([C@H](C)c3cnc4cc(C)c(=O)[nH]c4c3)C[C@H]2C)cn1
|
C23H28N6O2 420.517000 |
VPAMXHQRZJKFAD-HZPDHXFCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595792; PubChem:CID169665442
|
Local ready
Direct docking supported
|
|
E3L029702
BDB029702
|
BDBM595793
CCNC(=O)c1ccc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)n(C)c1=O
|
C25H30N6O3 462.554000 |
PVZNOOYOPBGLQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595793; PubChem:CID177668085
|
Local ready
Direct docking supported
|
|
E3L029703
BDB029703
|
BDBM595794
CNC(=O)c1ccc(N2CCN([C@@H](C)c3cnc4cc(C)c(=O)[nH]c4c3)CC2)cn1
|
C22H26N6O2 406.490000 |
YOIAKWKLDYXLFO-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595794; PubChem:CID166021913
|
Local ready
Direct docking supported
|
|
E3L029704
BDB029704
|
BDBM595795
CNC(=O)c1ccc(N2CCN([C@H](C)c3cnc4cc(C)c(=O)[nH]c4c3)CC2)cn1
|
C22H26N6O2 406.490000 |
YOIAKWKLDYXLFO-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595795; PubChem:CID166021899
|
Local ready
Direct docking supported
|
|
E3L029705
BDB029705
|
BDBM595796
Cc1cc2ncc([C@H](C)N3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
KHEORNGNVQFGBH-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595796; PubChem:CID169665671
|
Local ready
Direct docking supported
|
|
E3L029706
BDB029706
|
BDBM595797
Cc1cc2ncc([C@@H](C)N3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)cc2[nH]c1=O
|
C24H28N6O2 432.528000 |
KHEORNGNVQFGBH-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595797; PubChem:CID169665652
|
Local ready
Direct docking supported
|
|
E3L029707
BDB029707
|
BDBM595798
CCc1cc2ncc(CN3CCN(c4cccnc4C#N)CC3)cc2[nH]c1=O
|
C21H22N6O 374.448000 |
LVKRNKFWTYYZPN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595798; PubChem:CID166021891
|
Local ready
Direct docking supported
|
|
E3L029708
BDB029708
|
BDBM595799
Cc1cnc(N2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)n1C
|
C21H26N6O 378.480000 |
HIMORBXERUDYHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595799; PubChem:CID166088946
|
Local ready
Direct docking supported
|
|
E3L029709
BDB029709
|
BDBM595801
CNC(=O)c1ccc(N2CCN(Cc3cnc4cc(Cl)c(=O)[nH]c4c3)CC2)cn1
|
C20H21ClN6O2 412.881000 |
PVYXHZJKOHRFLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595801; PubChem:CID166021812
|
Local ready
Direct docking supported
|
|
E3L029710
BDB029710
|
BDBM595802
O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)c3ccoc34)CC2)cn1
|
C24H24N6O3 444.495000 |
FEUFMNKHMUNHIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595802; PubChem:CID166089018
|
Local ready
Direct docking supported
|
|
E3L029711
BDB029711
|
BDBM595803
O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4cc(Cl)c(=O)[nH]c4c3)CC2)cn1
|
C22H23ClN6O2 438.919000 |
QZJDTOACGMGKHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM595803; PubChem:CID166088833
|
Local ready
Direct docking supported
|
|
E3L029712
BDB029712
|
7-Benzoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
O=C1NC(=O)C2(CCN(C(=O)c3ccccc3)C2)N1
|
C13H13N3O3 259.265000 |
XBNLPFPGSKOCJV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600499; PubChem:CID78996098
|
Local ready
Direct docking supported
|
|
E3L029713
BDB029713
|
US11623929, Example 2
O=C1NC(=O)C2(CCN(C(=O)[C@H]3CCCc4ccccc43)C2)N1
|
C17H19N3O3 313.357000 |
UTYRVEGASOEMJK-CWQZNGJJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600500; PubChem:CID152067240
|
Local ready
Direct docking supported
|
|
E3L029714
BDB029714
|
US11623929, Example 3
O=C1NC(=O)C2(CCN(c3nc4ccccc4s3)C2)N1
|
C13H12N4O2S 288.332000 |
JDHXUMABFAVKIZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600501; PubChem:CID148034884
|
Local ready
Direct docking supported
|
|
E3L029715
BDB029715
|
US11623929, Example 4
O=C1NC(=O)C2(CCN(C(=O)c3cnn4ccccc34)C2)N1
|
C14H13N5O3 299.290000 |
HPNZWSHWKWGFMA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600502; PubChem:CID150459791
|
Local ready
Direct docking supported
|
|
E3L029716
BDB029716
|
US11623929, Example 5
COC(=O)c1ccc(N2CCC3(C2)NC(=O)NC3=O)nc1
|
C13H14N4O4 290.279000 |
ULZLXWZUEUPEEK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600503; PubChem:CID152027395
|
Local ready
Direct docking supported
|
|
E3L029717
BDB029717
|
US11623929, Example 6
CC(=O)Nc1cccc(N2CCC3(C2)NC(=O)NC3=O)c1
|
C14H16N4O3 288.307000 |
XOHXSACDCDVFJU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600504; PubChem:CID156142290
|
Local ready
Direct docking supported
|
|
E3L029718
BDB029718
|
US11623929, Example 7
CC(=O)Nc1ccc(N2CCC3(C2)NC(=O)NC3=O)cc1
|
C14H16N4O3 288.307000 |
RKBFQYVTOFQJFJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600505; PubChem:CID156142590
|
Local ready
Direct docking supported
|
|
E3L029719
BDB029719
|
US11623929, Example 8
O=C1NC(=O)C2(CCN(c3nc4ncccc4s3)C2)N1
|
C12H11N5O2S 289.320000 |
DGVCXMYHBXQNBX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600506; PubChem:CID150028881
|
Local ready
Direct docking supported
|
|
E3L029720
BDB029720
|
US11623929, Example 9
O=C1NC(=O)C2(CCN(C(=O)c3ccc4scnc4c3)C2)N1
|
C14H12N4O3S 316.342000 |
RCRVGNCDVAROTP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM600507; PubChem:CID151691710
|
Local ready
Direct docking supported
|