| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031561
BDB031561
|
BDBM631061
C[C@@H]1[C@@H](Oc2ccc(C(=O)NC3CC3)nc2)CN1Cc1cnc2c(c1)[nH]c(=O)c1ccoc12
|
C24H23N5O4 445.479000 |
ZETRPHVIAZSEKQ-XCLFUZPHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631061; PubChem:CID168757325
|
Local ready
Direct docking supported
|
|
E3L031562
BDB031562
|
BDBM631062
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)N[C@H]5CC5(F)F)nc4)[C@H]3C)cc2[nH]c1=O
|
C23H23F2N5O3 455.465000 |
YZRPPIOXMNSCDC-CWVNLOTRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631062; PubChem:CID168757292
|
Local ready
Direct docking supported
|
|
E3L031563
BDB031563
|
BDBM631063
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)N[C@@H]5CC5(F)F)nc4)[C@H]3C)cc2[nH]c1=O
|
C23H23F2N5O3 455.465000 |
YZRPPIOXMNSCDC-CAYVGHNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631063; PubChem:CID168757322
|
Local ready
Direct docking supported
|
|
E3L031564
BDB031564
|
BDBM631064
CNC(=O)c1ccc(O[C@H]2CN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)[C@@H]2C)cn1
|
C21H22FN5O3 411.437000 |
MFVSFQUDOHBDRZ-PXAZEXFGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631064; PubChem:CID168188221
|
Local ready
Direct docking supported
|
|
E3L031565
BDB031565
|
Antineoplaston A10
O=C1CC[C@H](NC(=O)Cc2ccccc2)C(=O)N1
|
C13H14N2O3 246.266000 |
OQGRFQCUGLKSAV-JTQLQIEISA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631074; PubChem:CID56260
|
Local ready
Direct docking supported
|
|
E3L031566
BDB031566
|
US11802131, Example 2
O=C1CCC(NC(=O)C2CCc3ccccc32)C(=O)N1
|
C15H16N2O3 272.304000 |
VWUSJCHFHIOLTO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631075; PubChem:CID137526012
|
Local ready
Direct docking supported
|
|
E3L031567
BDB031567
|
US11802131, Example 3
CCCN1Cc2ccccc2C1C(=O)NC1CCC(=O)NC1=O
|
C17H21N3O3 315.373000 |
KCGQXCCRXRXEFN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631076; PubChem:CID137525741
|
Local ready
Direct docking supported
|
|
E3L031568
BDB031568
|
US11802131, Example 2
O=C1CCC(NC(=O)C2CCc3ccccc32)C(=O)N1
|
C15H16N2O3 272.304000 |
VWUSJCHFHIOLTO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631077; PubChem:CID137526012
|
Local ready
Direct docking supported
|
|
E3L031569
BDB031569
|
US11802131, Example 2
O=C1CCC(NC(=O)C2CCc3ccccc32)C(=O)N1
|
C15H16N2O3 272.304000 |
VWUSJCHFHIOLTO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631078; PubChem:CID137526012
|
Local ready
Direct docking supported
|
|
E3L031570
BDB031570
|
US11802131, Example 2
O=C1CCC(NC(=O)C2CCc3ccccc32)C(=O)N1
|
C15H16N2O3 272.304000 |
VWUSJCHFHIOLTO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631079; PubChem:CID137526012
|
Local ready
Direct docking supported
|
|
E3L031571
BDB031571
|
N-(2,6-dioxo-3-piperidyl)-1-methyl-indole-3-carboxamide
Cn1cc(C(=O)NC2CCC(=O)NC2=O)c2ccccc21
|
C15H15N3O3 285.303000 |
RKPBOLOTHPHQOI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631081; PubChem:CID65970212
|
Local ready
Direct docking supported
|
|
E3L031572
BDB031572
|
N-(2,6-Dioxopiperidin-3-yl)indoline-1-carboxamide
O=C1CCC(NC(=O)N2CCc3ccccc32)C(=O)N1
|
C14H15N3O3 273.292000 |
PSZIRKZDQGEZMO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631082; PubChem:CID137533595
|
Local ready
Direct docking supported
|
|
E3L031573
BDB031573
|
N-(2,6-dioxo-3-piperidyl)cyclopentanecarboxamide
O=C1CCC(NC(=O)C2CCCC2)C(=O)N1
|
C11H16N2O3 224.260000 |
GVVMLDZDEDVDJM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631084; PubChem:CID65954274
|
Local ready
Direct docking supported
|
|
E3L031574
BDB031574
|
N-(2,6-dioxo-3-piperidyl)benzofuran-3-carboxamide
O=C1CCC(NC(=O)c2coc3ccccc23)C(=O)N1
|
C14H12N2O4 272.260000 |
DLQXJRQBPBIMKG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631085; PubChem:CID65969619
|
Local ready
Direct docking supported
|
|
E3L031575
BDB031575
|
N-(2,6-dioxo-3-piperidyl)benzothiophene-3-carboxamide
O=C1CCC(NC(=O)c2csc3ccccc23)C(=O)N1
|
C14H12N2O3S 288.328000 |
DVZDBGSLWMRUKV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631086; PubChem:CID65956116
|
Local ready
Direct docking supported
|
|
E3L031576
BDB031576
|
US11802131, Example 14
O=C1CCC(NC(=O)[C@@H]2CCCc3ccccc32)C(=O)N1
|
C16H18N2O3 286.331000 |
HJIUSPUWMFCKIL-PZORYLMUSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631087; PubChem:CID142535910
|
Local ready
Direct docking supported
|
|
E3L031577
BDB031577
|
US11802131, Example 15
O=C1CCC(NC(=O)[C@H]2CCCc3ccccc32)C(=O)N1
|
C16H18N2O3 286.331000 |
HJIUSPUWMFCKIL-UEWDXFNNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631088; PubChem:CID147789526
|
Local ready
Direct docking supported
|
|
E3L031578
BDB031578
|
BDBM631089
CN(C(=O)c1c[nH]c2ccccc12)C1CCC(=O)NC1=O
|
C15H15N3O3 285.303000 |
RAJBEYWMJFCBTJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631089; PubChem:CID137533610
|
Local ready
Direct docking supported
|
|
E3L031579
BDB031579
|
US11802131, Example 17
O=C1CC[C@H](NC(=O)c2c[nH]c3ccccc23)C(=O)N1
|
C14H13N3O3 271.276000 |
ZCTRHIPLIVOKIE-NSHDSACASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631090; PubChem:CID137527035
|
Local ready
Direct docking supported
|
|
E3L031580
BDB031580
|
(R)-N-(2,6-Dioxopiperidin-3-yl)-1H-indole-3-carboxamide
O=C1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)C(=O)N1
|
C14H13N3O3 271.276000 |
ZCTRHIPLIVOKIE-LLVKDONJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM631091; PubChem:CID137533642
|
Local ready
Direct docking supported
|