| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005601
BDB005601
|
BDBM130144
O=c1[nH]c2cc(CNCC(F)(F)F)ccc2c2c1CCCN2
|
C15H16F3N3O 311.307000 |
FZZPQKFBTITFTQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130144; PubChem:CID67381156
|
Local ready
Direct docking supported
|
|
E3L005602
BDB005602
|
BDBM130145
N#CCNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C15H16N4O 268.320000 |
VGUXRTGWGOGYFO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130145; PubChem:CID86767070
|
Local ready
Direct docking supported
|
|
E3L005603
BDB005603
|
BDBM130146
O=c1[nH]c2cc(Cn3ccnc3)ccc2c2c1CCCN2
|
C16H16N4O 280.331000 |
UOQAXAWGVMHLMM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130146; PubChem:CID58424991
|
Local ready
Direct docking supported
|
|
E3L005604
BDB005604
|
BDBM130147
O=c1[nH]c2cc(Cn3cccc3)ccc2c2c1CCCN2
|
C17H17N3O 279.343000 |
ZYWNWPNRSHBHFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130147; PubChem:CID58425002
|
Local ready
Direct docking supported
|
|
E3L005605
BDB005605
|
BDBM130148
CN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3C
|
C16H21N3O 271.364000 |
LMFJPCTXYITPQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130148; PubChem:CID58424895
|
Local ready
Direct docking supported
|
|
E3L005606
BDB005606
|
BDBM130150
CCN(CC)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3C
|
C18H25N3O 299.418000 |
DLOQUEBXYOXDJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130150; PubChem:CID58424906
|
Local ready
Direct docking supported
|
|
E3L005607
BDB005607
|
BDBM130151
CN1CCCc2c1c1ccc(CN3CCCCC3)cc1[nH]c2=O
|
C19H25N3O 311.429000 |
HUXCTKDHVNPVGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130151; PubChem:CID58424910
|
Local ready
Direct docking supported
|
|
E3L005608
BDB005608
|
BDBM130152
CN1CCCc2c1c1ccc(CN3CCOCC3)cc1[nH]c2=O
|
C18H23N3O2 313.401000 |
PPRWQKUKEPNPHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130152; PubChem:CID58425006
|
Local ready
Direct docking supported
|
|
E3L005609
BDB005609
|
BDBM130153
CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3C
|
C17H23N3O 285.391000 |
QJDSUDFZMGYFMD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130153; PubChem:CID58424984
|
Local ready
Direct docking supported
|
|
E3L005610
BDB005610
|
BDBM130154
COc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C16H21N3O2 287.363000 |
YQPSIACHCTULLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130154; PubChem:CID58424913
|
Local ready
Direct docking supported
|
|
E3L005611
BDB005611
|
BDBM130155
CNCc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
|
C15H19N3O2 273.336000 |
RLUDYOQSYGMLQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130155; PubChem:CID67381209
|
Local ready
Direct docking supported
|
|
E3L005612
BDB005612
|
BDBM130156
COc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H23N3O3 329.400000 |
HFUOSTOTVRUBOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130156; PubChem:CID58424944
|
Local ready
Direct docking supported
|
|
E3L005613
BDB005613
|
BDBM130157
CCNCc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
|
C16H21N3O2 287.363000 |
DFBPIFQOMUHXOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130157; PubChem:CID67381035
|
Local ready
Direct docking supported
|
|
E3L005614
BDB005614
|
BDBM130158
CCN(C)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H23N3O2 301.390000 |
LBWLWOBFOPJIJK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130158; PubChem:CID58424916
|
Local ready
Direct docking supported
|
|
E3L005615
BDB005615
|
BDBM130159
COc1cc(CN2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H23N3O2 313.401000 |
DCKXLFWHFSOZPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130159; PubChem:CID58424951
|
Local ready
Direct docking supported
|
|
E3L005616
BDB005616
|
BDBM130160
COc1cc(CN2CCC(=O)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C19H23N3O3 341.411000 |
JVONMPYLLSDQAW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130160; PubChem:CID58424988
|
Local ready
Direct docking supported
|
|
E3L005617
BDB005617
|
BDBM130161
COc1cc(CN2CCC(N=O)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C19H24N4O3 356.426000 |
MKPWMKRPCIQIDG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130161; PubChem:CID86767071
|
Local ready
Direct docking supported
|
|
E3L005618
BDB005618
|
BDBM130162
CON=C1CCN(Cc2cc(OC)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C20H26N4O3 370.453000 |
ZXZCYKPEQPKDNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130162; PubChem:CID86767072
|
Local ready
Direct docking supported
|
|
E3L005619
BDB005619
|
BDBM130163
COCCN(C)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
|
C18H25N3O3 331.416000 |
AKYKOIDJVKCJAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130163; PubChem:CID58424961
|
Local ready
Direct docking supported
|
|
E3L005620
BDB005620
|
BDBM130164
COc1cc(CN2CC=CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H21N3O2 311.385000 |
ZCWBTROVUPFQBK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130164; PubChem:CID58424983
|
Local ready
Direct docking supported
|