| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063681
BDB063681
|
BDBM50626159
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4nc(C)c(=O)[nH]c4c3)CC2)c(Cl)n1
|
C21H22ClFN6O2 444.898000 |
KDWSEEKYETWQOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626159; PubChem:CID169110420
|
Local ready
Direct docking supported
|
|
E3L063682
BDB063682
|
Parp1-IN-18
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4cc(C(F)F)c(=O)[nH]c4c3F)CC2)c(F)n1
|
C24H23F4N5O2 489.473000 |
YCFFFFZWUCHYKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626160; PubChem:CID169110616
|
Local ready
Direct docking supported
|
|
E3L063683
BDB063683
|
BDBM50626173
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1
|
C22H18BrClN2O8S 585.816000 |
YYPNBPDEMMBTQZ-DYESRHJHSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626173; PubChem:CID98221351
|
Local ready
Direct docking supported
|
|
E3L063684
BDB063684
|
BDBM50626174
O=C(O)C1=C(CO)CS[C@@H]2[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)C(=O)N12
|
C20H16BrClN2O7S 543.779000 |
WZHMUJGBYLFHGC-DNVCBOLYSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626174; PubChem:CID172442227
|
Local ready
Direct docking supported
|
|
E3L063685
BDB063685
|
BDBM50626175
O=C(O)C1=CCS[C@@H]2[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)C(=O)N12
|
C19H14BrClN2O6S 513.753000 |
TWDVGIPZJOAWMX-CRAIPNDOSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626175; PubChem:CID172444458
|
Local ready
Direct docking supported
|
|
E3L063686
BDB063686
|
BDBM50626176
COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1
|
C21H18BrClN2O7S 557.806000 |
WPOPGSXQYDGZMI-OXQOHEQNSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626176; PubChem:CID172463625
|
Local ready
Direct docking supported
|
|
E3L063687
BDB063687
|
BDBM50626177
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1
|
C20H16BrClN2O6S 527.780000 |
XAUKDDJNZOTOBX-DNVCBOLYSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626177; PubChem:CID172446102
|
Local ready
Direct docking supported
|
|
E3L063688
BDB063688
|
BDBM50626178
O=C(O)C1=C(Cl)CS[C@@H]2[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)C(=O)N12
|
C19H13BrCl2N2O6S 548.198000 |
VPKOSAZWNSMAIR-RDTXWAMCSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626178; PubChem:CID172453244
|
Local ready
Direct docking supported
|
|
E3L063689
BDB063689
|
BDBM50626179
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1
|
C22H18BrClN6O6S2 641.913000 |
WGCBFDVDVIEILB-OXQOHEQNSA-N | O43791 | Speckle-type POZ protein |
BindingDB
BindingDB:BDBM50626179
|
Local ready
Direct docking supported
|
|
E3L063690
BDB063690
|
BDBM50626180
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccc(Br)cc5Cl)o4)[C@H]3SC2)s1
|
C23H18BrClN4O6S3 657.977000 |
YHGANNMAJUUPJI-DYESRHJHSA-N | O43791 | Speckle-type POZ protein |
BindingDB
BindingDB:BDBM50626180
|
Local ready
Direct docking supported
|
|
E3L063691
BDB063691
|
BDBM50626181
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1
|
C21H16BrClN2O6S 539.791000 |
OAWHPKQWCMVDIF-OXQOHEQNSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626181; PubChem:CID172468114
|
Local ready
Direct docking supported
|
|
E3L063692
BDB063692
|
BDBM50626182
C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1
|
C22H18BrClN2O6S 553.818000 |
VFQPYTSFOSBDRO-AXFWHVGXSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626182; PubChem:CID172448006
|
Local ready
Direct docking supported
|
|
E3L063693
BDB063693
|
BDBM50626183
CC1(C)S[C@@H]2[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)C(=O)N2[C@H]1C(=O)O
|
C20H18BrClN2O6S 529.796000 |
FOVDHPCBUNJJAF-RVKKMQEKSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626183; PubChem:CID172452377
|
Local ready
Direct docking supported
|
|
E3L063694
BDB063694
|
BDBM50626184
C[C@H]1[C@H](NC(=O)c2ccc(COc3ccc(Br)cc3Cl)o2)C(=O)N1S(=O)(=O)O
|
C16H14BrClN2O7S 493.719000 |
WRVFIHYPDAJUGD-RTHLEPHNSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626184; PubChem:CID172452462
|
Local ready
Direct docking supported
|
|
E3L063695
BDB063695
|
BDBM50626185
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)cc4Br)o3)[C@H]2SC1
|
C21H16BrClN2O6S 539.791000 |
ACTGYOIGXXQQEG-OXQOHEQNSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626185; PubChem:CID172441077
|
Local ready
Direct docking supported
|
|
E3L063696
BDB063696
|
BDBM50626186
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4c(C)cc(Br)cc4Cl)o3)[C@H]2SC1
|
C22H18BrClN2O6S 553.818000 |
WXSCWALBMUCMAB-IIBYNOLFSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626186; PubChem:CID172465715
|
Local ready
Direct docking supported
|
|
E3L063697
BDB063697
|
BDBM50626187
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4Cl)o3)[C@H]2SC1
|
C21H16ClFN2O6S 478.885000 |
DWBDZJQVIFVGBA-OXQOHEQNSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626187; PubChem:CID172448386
|
Local ready
Direct docking supported
|
|
E3L063698
BDB063698
|
BDBM50626188
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(C#N)cc4Cl)o3)[C@H]2SC1
|
C22H16ClN3O6S 485.905000 |
JMMPMMNVEQLPTH-DYESRHJHSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626188; PubChem:CID172453862
|
Local ready
Direct docking supported
|
|
E3L063699
BDB063699
|
BDBM50626189
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4)o3)[C@H]2SC1
|
C21H17FN2O6S 444.440000 |
RYGCTZRAXJRLHP-OXQOHEQNSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626189; PubChem:CID172439455
|
Local ready
Direct docking supported
|
|
E3L063700
BDB063700
|
BDBM50626190
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@H]2SC1
|
C21H17BrN2O6S 505.346000 |
STNKOLQIWNZXOF-OXQOHEQNSA-N | O43791 | Speckle-type POZ protein |
BindingDB, PubChem
BindingDB:BDBM50626190; PubChem:CID172441078
|
Local ready
Direct docking supported
|