| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046621
BDB046621
|
BDBM50145133
Cn1ccnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccccc1
|
C20H16FN5O 361.380000 |
JMRVJHACGJMVJK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145133; PubChem:CID136186302
|
Local ready
Direct docking supported
|
|
E3L046622
BDB046622
|
BDBM50145134
O=c1[nH]nc2c3c(cccc13)NC(c1ccc(F)cc1)C2c1nccs1
|
C19H13FN4OS 364.405000 |
MZEQOWHGLGJDMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145134; PubChem:CID136265171
|
Local ready
Direct docking supported
|
|
E3L046623
BDB046623
|
BDBM50145135
Cn1nccc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1
|
C20H15F2N5O 379.370000 |
BVGJIMWIYVYPEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145135; PubChem:CID137238780
|
Local ready
Direct docking supported
|
|
E3L046624
BDB046624
|
BDBM50145136
Cn1ccnc1C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccc(C(F)(F)F)cc1
|
C21H16F3N5O 411.387000 |
CTGPUFQNQVNVGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145136; PubChem:CID136186303
|
Local ready
Direct docking supported
|
|
E3L046625
BDB046625
|
BDBM50145137
Cn1ccnc1C1c2n[nH]c(=O)c3cc(Cl)cc(c23)NC1c1ccccc1
|
C20H16ClN5O 377.835000 |
BSVXQTHOSDPJBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145137; PubChem:CID136186309
|
Local ready
Direct docking supported
|
|
E3L046626
BDB046626
|
BDBM50145138
Cn1ccnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1
|
C20H15F2N5O 379.370000 |
LJXPYHXSPQXFKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145138; PubChem:CID136368560
|
Local ready
Direct docking supported
|
|
E3L046627
BDB046627
|
BDBM50145139
Cn1ncnc1C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccccc1
|
C19H16N6O 344.378000 |
GOMMADJURTTYPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145139; PubChem:CID135998415
|
Local ready
Direct docking supported
|
|
E3L046628
BDB046628
|
BDBM50145140
Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccccc1
|
C19H15FN6O 362.368000 |
RJXIQUMBMLJTTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145140; PubChem:CID135924349
|
Local ready
Direct docking supported
|
|
E3L046629
BDB046629
|
BDBM50145141
Cn1cnnc1C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccccc1
|
C19H16N6O 344.378000 |
KNXPMYHIMKQPKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145141; PubChem:CID137238781
|
Local ready
Direct docking supported
|
|
E3L046630
BDB046630
|
BDBM50145142
Cn1ncnc1C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccc(F)cc1
|
C19H15FN6O 362.368000 |
VGCYLQAHCSEGLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145142; PubChem:CID136186308
|
Local ready
Direct docking supported
|
|
E3L046631
BDB046631
|
BDBM50145143
Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1
|
C19H14F2N6O 380.358000 |
HWGQMRYQVZSGDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145143; PubChem:CID135743681
|
Local ready
Direct docking supported
|
|
E3L046632
BDB046632
|
BDBM50145144
CC(=O)Nc1ccc(C2Nc3cc(F)cc4c(=O)[nH]nc(c34)C2c2ncnn2C)cc1
|
C21H18FN7O2 419.420000 |
LDOZYNZAILTQCF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145144; PubChem:CID137238782
|
Local ready
Direct docking supported
|
|
E3L046633
BDB046633
|
BDBM50145145
Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1cncnc1
|
C17H13FN8O 364.344000 |
SKBPZMHNLRVKRR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145145; PubChem:CID137189936
|
Local ready
Direct docking supported
|
|
E3L046634
BDB046634
|
BDBM50145146
Cn1nccc1C1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1c1ncnn1C
|
C17H15FN8O 366.360000 |
KMSFRGANEKOQBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145146; PubChem:CID137238783
|
Local ready
Direct docking supported
|
|
E3L046635
BDB046635
|
BDBM50145147
Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(C#N)cc1
|
C20H14FN7O 387.378000 |
VHNFDPXVKYPFRU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145147; PubChem:CID137238784
|
Local ready
Direct docking supported
|
|
E3L046636
BDB046636
|
BDBM50145148
Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(F)cc1
|
C20H16FN5O 361.380000 |
SOMLCVOFFCJGNU-IRXDYDNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145148; PubChem:CID135924322
|
Local ready
Direct docking supported
|
|
E3L046637
BDB046637
|
BDBM50145149
Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(F)cc1
|
C20H16FN5O 361.380000 |
SOMLCVOFFCJGNU-IAGOWNOFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145149; PubChem:CID136385195
|
Local ready
Direct docking supported
|
|
E3L046638
BDB046638
|
BDBM50145150
Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1
|
C20H15F2N5O 379.370000 |
LJXPYHXSPQXFKB-IRXDYDNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145150; PubChem:CID135924321
|
Local ready
Direct docking supported
|
|
E3L046639
BDB046639
|
BDBM50145151
Cn1ccnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1
|
C20H15F2N5O 379.370000 |
LJXPYHXSPQXFKB-IAGOWNOFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145151; PubChem:CID136385214
|
Local ready
Direct docking supported
|
|
E3L046640
BDB046640
|
BDBM50145152
Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(F)cc1
|
C19H15FN6O 362.368000 |
VGCYLQAHCSEGLE-HZPDHXFCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145152; PubChem:CID135924334
|
Local ready
Direct docking supported
|