| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045561
BDB045561
|
BDBM50089865
O=C1CCN(c2ccccc2C(=O)NCCc2nc(-c3ccccn3)no2)C(=O)N1
|
C20H18N6O4 406.402000 |
VEVDSJNRSJPWSK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50089865; PubChem:CID122177906
|
Local ready
Direct docking supported
|
|
E3L045562
BDB045562
|
BDBM50089866
O=C1CCN(c2ccccc2C(=O)NCc2ccc(-n3cccn3)cc2)C(=O)N1
|
C21H19N5O3 389.415000 |
OWLIGWULYLQYLA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50089866; PubChem:CID122177907
|
Local ready
Direct docking supported
|
|
E3L045563
BDB045563
|
BDBM50089867
O=C1CCN(c2ccccc2C(=O)NCCc2ccc(Cl)cc2Cl)C(=O)N1
|
C19H17Cl2N3O3 406.269000 |
HHQJCXWKFODTFE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50089867; PubChem:CID122177908
|
Local ready
Direct docking supported
|
|
E3L045564
BDB045564
|
BDBM50092310
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C4CC4)n[nH]c3C)c12
|
C24H23N5O2 413.481000 |
WHDUHJYPRJXLGF-UHFFFAOYSA-N | O15164, Q03164, Q92793 | CREB-binding protein, Transcription intermediary factor 1-alpha, Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50092310; PubChem:CID77846025
|
Local ready
Direct docking supported
|
|
E3L045565
BDB045565
|
BDBM50092312
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2
|
C25H22ClN5O2S 492.004000 |
GNMUEVRJHCWKTO-FQEVSTJZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50092312; PubChem:CID9936746
|
Local ready
Direct docking supported
|
|
E3L045566
BDB045566
|
BDBM50093357
COc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1
|
C23H19N3O4 401.422000 |
MQIIZTVPJZLAOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093357; PubChem:CID10834881
|
Local ready
Direct docking supported
|
|
E3L045567
BDB045567
|
1H-Benzimidazole-7-carboxamide, 2-(trifluoromethyl)-
NC(=O)c1cccc2nc(C(F)(F)F)[nH]c12
|
C9H6F3N3O 229.161000 |
VANPTVOCOWCFLO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093358; PubChem:CID10585483
|
Local ready
Direct docking supported
|
|
E3L045568
BDB045568
|
BDBM50093359
NC(=O)c1cccc2[nH]c(-c3ccc(CO)cc3)nc12
|
C15H13N3O2 267.288000 |
ZATXFBUSDJEEOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093359; PubChem:CID10778228
|
Local ready
Direct docking supported
|
|
E3L045569
BDB045569
|
BDBM50093360
NC(=O)c1cccc2[nH]c(-c3cccc(CO)c3)nc12
|
C15H13N3O2 267.288000 |
HZBRMMXOFOLUDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093360; PubChem:CID10587888
|
Local ready
Direct docking supported
|
|
E3L045570
BDB045570
|
BDBM50093361
CN(C)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C16H16N4O 280.331000 |
GHMDRVYWXWHXLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093361; PubChem:CID10850356
|
Local ready
Direct docking supported
|
|
E3L045571
BDB045571
|
BDBM50093362
COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1OC
|
C16H15N3O3 297.314000 |
FAJQQNNFUXNRRC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093362; PubChem:CID10827834
|
Local ready
Direct docking supported
|
|
E3L045572
BDB045572
|
2-methyl-1H-benzo[d]imidazole-4-carboxamide
Cc1nc2cccc(C(N)=O)c2[nH]1
|
C9H9N3O 175.191000 |
JCMGIFLIMIXLTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093363; PubChem:CID10241296
|
Local ready
Direct docking supported
|
|
E3L045573
BDB045573
|
BDBM50093364
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(OC)c1OC
|
C17H17N3O4 327.340000 |
OBHBPKWDBYTINS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093364; PubChem:CID10758576
|
Local ready
Direct docking supported
|
|
E3L045574
BDB045574
|
BDBM50093365
NC(=O)c1cccc2[nH]c(-c3ccc4c(c3)OCO4)nc12
|
C15H11N3O3 281.271000 |
XNPUYQMSDJUKGP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093365; PubChem:CID10540758
|
Local ready
Direct docking supported
|
|
E3L045575
BDB045575
|
2-(4-Aminophenyl)-1H-benzo[d]imidazole-4-carboxamide
NC(=O)c1cccc2nc(-c3ccc(N)cc3)[nH]c12
|
C14H12N4O 252.277000 |
CORDOWZJZKLEHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093366; PubChem:CID10729476
|
Local ready
Direct docking supported
|
|
E3L045576
BDB045576
|
BDBM50093367
O=C(O)c1cccc2[nH]c(-c3ccc(O)cc3)nc12
|
C14H10N2O3 254.245000 |
STYRAFKTHBOIOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093367; PubChem:CID135456680
|
Local ready
Direct docking supported
|
|
E3L045577
BDB045577
|
BDBM50093368
NC(=O)c1cccc2nc(-c3cccc(Cl)c3)[nH]c12
|
C14H10ClN3O 271.707000 |
NUYFNUBBSVEPHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093368; PubChem:CID10707280
|
Local ready
Direct docking supported
|
|
E3L045578
BDB045578
|
2-(2-Chlorophenyl)-1H-benzimidazole-4-carboxamide
NC(=O)c1cccc2[nH]c(-c3ccccc3Cl)nc12
|
C14H10ClN3O 271.707000 |
AYRAPASYSZECEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093369; PubChem:CID10492366
|
Local ready
Direct docking supported
|
|
E3L045579
BDB045579
|
BDBM50093370
CCOC(=O)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C17H15N3O3 309.325000 |
LGNNIGBLCRQBLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093370; PubChem:CID10710001
|
Local ready
Direct docking supported
|
|
E3L045580
BDB045580
|
BDBM50093371
COc1ccccc1-c1nc2c(C(N)=O)cccc2[nH]1
|
C15H13N3O2 267.288000 |
OAUAMWRHVIYHEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50093371; PubChem:CID10801775
|
Local ready
Direct docking supported
|