| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047601
BDB047601
|
4-(3-(morpholine-4-carbonyl)benzyl)phthalazin-1(2H)-one
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCOCC1
|
C20H19N3O3 349.390000 |
LGOGPWFGCPSOGF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177467; PubChem:CID44407737
|
Local ready
Direct docking supported
|
|
E3L047602
BDB047602
|
pyrrolo[3,4-e]indole-1,3(2H,6H)-dione
O=C1NC(=O)c2c1ccc1[nH]ccc21
|
C10H6N2O2 186.170000 |
KVIRPIKEFDXNQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177472; PubChem:CID44407700
|
Local ready
Direct docking supported
|
|
E3L047603
BDB047603
|
2,3-dihydro-1H-11-oxa-5-aza-benzo[a]trindene-4,6-dione
O=C1NC(=O)c2c1c1c(c3oc4ccccc4c23)CCC1
|
C17H11NO3 277.279000 |
JKUCXPDIZSGEPM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177473; PubChem:CID44407534
|
Local ready
Direct docking supported
|
|
E3L047604
BDB047604
|
BDBM50177474
O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCO1
|
C16H10N2O3 278.267000 |
XLQNZECANOLGKM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177474; PubChem:CID44407525
|
Local ready
Direct docking supported
|
|
E3L047605
BDB047605
|
BDBM50177475
CCCc1c2c(c3c([nH]c4ccccc43)c1CC)C(=O)NC2=O
|
C19H18N2O2 306.365000 |
CURKOIUXIDRZSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177475; PubChem:CID44407567
|
Local ready
Direct docking supported
|
|
E3L047606
BDB047606
|
BDBM50177476
O=C1NCc2c1c1c(c3[nH]c4ccccc4c23)CCC1
|
C17H14N2O 262.312000 |
BBZSKJOXRZKMDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177476; PubChem:CID44407571
|
Local ready
Direct docking supported
|
|
E3L047607
BDB047607
|
pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
O=C1NC(=O)c2c1ccc1[nH]c3ccccc3c21
|
C14H8N2O2 236.230000 |
AGFYXNWRDSDSRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177477; PubChem:CID18382004
|
Local ready
Direct docking supported
|
|
E3L047608
BDB047608
|
1,7,8,9-Tetrahydro-1,5-diaza-trindene-4,6-dione
O=C1NC(=O)c2c1c1c(c3[nH]ccc23)CCC1
|
C13H10N2O2 226.235000 |
NMFHMHLMLQVGMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177478; PubChem:CID11506860
|
Local ready
Direct docking supported
|
|
E3L047609
BDB047609
|
BDBM50177479
O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)CCC3
|
C17H14N2O 262.312000 |
VQWFWGTVJCIEIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177479; PubChem:CID44407533
|
Local ready
Direct docking supported
|
|
E3L047610
BDB047610
|
7,8-dihydrocyclopenta[e]isoindole-1,3(2H,6H)-dione
O=C1NC(=O)c2c1ccc1c2CCC1
|
C11H9NO2 187.198000 |
ZHYOCDAGFHASIF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177480; PubChem:CID22918383
|
Local ready
Direct docking supported
|
|
E3L047611
BDB047611
|
4-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Cc1cc2[nH]c3ccccc3c2c2c1C(=O)NC2=O
|
C15H10N2O2 250.257000 |
DSCSSQAANWCYAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177481; PubChem:CID44407566
|
Local ready
Direct docking supported
|
|
E3L047612
BDB047612
|
BDBM50177482
O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCC1
|
C17H12N2O2 276.295000 |
UYZYLAFMPDNCIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177482; PubChem:CID9921681
|
Local ready
Direct docking supported
|
|
E3L047613
BDB047613
|
5-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Cc1cc2c(c3c1[nH]c1ccccc13)C(=O)NC2=O
|
C15H10N2O2 250.257000 |
IMEDEXINTFAKNV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177483; PubChem:CID44407565
|
Local ready
Direct docking supported
|
|
E3L047614
BDB047614
|
BDBM50177484
O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCCC1
|
C18H14N2O2 290.322000 |
XCUWUKJYHFLWPP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177484; PubChem:CID44407795
|
Local ready
Direct docking supported
|
|
E3L047615
BDB047615
|
2,3-dihydro-1H-11-thia-5-aza-benzo[a]trindene-4,6-dione
O=C1NC(=O)c2c1c1c(c3sc4ccccc4c23)CCC1
|
C17H11NO2S 293.347000 |
WFXKVOMVNTUJDD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177485; PubChem:CID44407535
|
Local ready
Direct docking supported
|
|
E3L047616
BDB047616
|
4,5-dimethylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Cc1c2c(c3c([nH]c4ccccc43)c1C)C(=O)NC2=O
|
C16H12N2O2 264.284000 |
NUDJDUPVGVFDQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177486; PubChem:CID9943215
|
Local ready
Direct docking supported
|
|
E3L047617
BDB047617
|
Paxalisib
CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
|
C18H22N8O2 382.428000 |
LGWACEZVCMBSKW-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50177662; PubChem:CID57384863
|
Local ready
Direct docking supported
|
|
E3L047618
BDB047618
|
BDBM50178161
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C(N)=O)nn4C)c2N1
|
C19H19N5O2 349.394000 |
SYEXTYCMJGDJHE-SNVBAGLBSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50178161
|
Local ready
Direct docking supported
|
|
E3L047619
BDB047619
|
BDBM50178162
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(cnn4C)c3)c2N1
|
C18H18N4O 306.369000 |
ZRMBMFKNJXZVOF-LLVKDONJSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50178162; PubChem:CID121278155
|
Local ready
Direct docking supported
|
|
E3L047620
BDB047620
|
BDBM50178163
C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1
|
C23H22N2O2 358.441000 |
XKIQUMIGIBMUJB-MRXNPFEDSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50178163; PubChem:CID121278062
|
Local ready
Direct docking supported
|