| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005621
BDB005621
|
BDBM130165
COc1cc(CN(C)CCOC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H29N3O3 359.470000 |
WZKUMZLASCIXEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130165; PubChem:CID58424938
|
Local ready
Direct docking supported
|
|
E3L005622
BDB005622
|
BDBM130166
COc1cc(CN2CCCCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C19H25N3O2 327.428000 |
HTWDPJAUDLZNMM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130166; PubChem:CID58424946
|
Local ready
Direct docking supported
|
|
E3L005623
BDB005623
|
BDBM130167
COc1cc(CN(C)CCCl)cc2[nH]c(=O)c3c(c12)NCCC3
|
C17H22ClN3O2 335.835000 |
DLHPEGPNZZBUOM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130167; PubChem:CID58424892
|
Local ready
Direct docking supported
|
|
E3L005624
BDB005624
|
BDBM130168
CCN(CC)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
|
C18H25N3O2 315.417000 |
OOHSYUWDDUYKER-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130168; PubChem:CID58424999
|
Local ready
Direct docking supported
|
|
E3L005625
BDB005625
|
BDBM130169
COc1cc(CNC(C)(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H25N3O2 315.417000 |
ICGXYOIOJQBSDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130169; PubChem:CID67381102
|
Local ready
Direct docking supported
|
|
E3L005626
BDB005626
|
BDBM130170
COc1cc(CNC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C17H23N3O2 301.390000 |
CISOYBFWEXBBLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130170; PubChem:CID67381117
|
Local ready
Direct docking supported
|
|
E3L005627
BDB005627
|
BDBM130171
COc1cc(CNC2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C19H25N3O2 327.428000 |
BDJOBVWMWUXEIP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130171; PubChem:CID67381396
|
Local ready
Direct docking supported
|
|
E3L005628
BDB005628
|
BDBM130172
COc1cc(CN2CC(C)OC(C)C2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H27N3O3 357.454000 |
IDPFIWDWDZPGKK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130172; PubChem:CID58424849
|
Local ready
Direct docking supported
|
|
E3L005629
BDB005629
|
BDBM130173
COc1cc(C[N+](C)(C)C2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C21H30N3O2+ 356.490000 |
RUTSEWSETKQOEM-UHFFFAOYSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130173; PubChem:CID58424891
|
Local ready
Direct docking supported
|
|
E3L005630
BDB005630
|
BDBM130174
COc1cc(CN(C)C2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H27N3O2 341.455000 |
WYTHRTXUSGPDIZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130174; PubChem:CID58424969
|
Local ready
Direct docking supported
|
|
E3L005631
BDB005631
|
BDBM130175
COc1cc(CN(C)C(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H25N3O2 315.417000 |
FCLYKBIRHYHGAT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130175; PubChem:CID67381258
|
Local ready
Direct docking supported
|
|
E3L005632
BDB005632
|
BDBM130176
COc1cc(CN(C)CCF)cc2[nH]c(=O)c3c(c12)NCCC3
|
C17H22FN3O2 319.380000 |
AQXLFSLVLFWFJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130176; PubChem:CID58425026
|
Local ready
Direct docking supported
|
|
E3L005633
BDB005633
|
BDBM130177
O=c1[nH]c2cc(Cc3nnn[nH]3)ccc2c2c1CCCN2
|
C14H14N6O 282.307000 |
KZACEFYLKHKEKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130177; PubChem:CID58424970
|
Local ready
Direct docking supported
|
|
E3L005634
BDB005634
|
BDBM130178
COc1cc(CNN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H24N4O3 344.415000 |
ZNHQHXKWCDCFPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130178; PubChem:CID67381263
|
Local ready
Direct docking supported
|
|
E3L005635
BDB005635
|
BDBM130179
COc1cc(CN(C)N2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C19H26N4O3 358.442000 |
VHRNMDPDQQENOR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130179; PubChem:CID67380972
|
Local ready
Direct docking supported
|
|
E3L005636
BDB005636
|
BDBM130180
CN(C)Cc1cc(O)c2c3c(c(=O)[nH]c2c1)CCCN3
|
C15H19N3O2 273.336000 |
DFGSMMFEGSUPDD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130180; PubChem:CID58424873
|
Local ready
Direct docking supported
|
|
E3L005637
BDB005637
|
BDBM130181
CCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C17H23N3O2 301.390000 |
AHLCIOSKHNCVFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130181; PubChem:CID67381233
|
Local ready
Direct docking supported
|
|
E3L005638
BDB005638
|
Amelparib
CCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C19H25N3O3 343.427000 |
WBBZUHMHBSXBDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130182; PubChem:CID58424881
|
Local ready
Direct docking supported
|
|
E3L005639
BDB005639
|
BDBM130183
CCOc1cc(CN2CCCCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H27N3O2 341.455000 |
HELCHXWXJLNTCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130183; PubChem:CID67381299
|
Local ready
Direct docking supported
|
|
E3L005640
BDB005640
|
BDBM130184
CCOc1cc(CNC)cc2[nH]c(=O)c3c(c12)NCCC3
|
C16H21N3O2 287.363000 |
REVQLQVZQWBWBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130184; PubChem:CID67381107
|
Local ready
Direct docking supported
|