| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008961
BDB008961
|
BDBM214028
Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C15H17N3O 255.321000 |
IJDIJXBDXARNIX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214028; PubChem:CID59755755
|
Local ready
Direct docking supported
|
|
E3L008962
BDB008962
|
BDBM214029
O=c1[nH]nc(Cc2cccc(Br)c2)c2c1CCCC2
|
C15H15BrN2O 319.202000 |
CUUZWUBODFBHQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214029; PubChem:CID59755769
|
Local ready
Direct docking supported
|
|
E3L008963
BDB008963
|
BDBM214030
O=c1[nH]nc(Cc2cccs2)c2c1CCCC2
|
C13H14N2OS 246.335000 |
ZMUNZDYZMNUDSU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214030; PubChem:CID69044253
|
Local ready
Direct docking supported
|
|
E3L008964
BDB008964
|
BDBM214031
COC(=O)c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)s1
|
C15H16N2O3S 304.371000 |
GAPCKRHXSJIZHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214031; PubChem:CID69043435
|
Local ready
Direct docking supported
|
|
E3L008965
BDB008965
|
BDBM214032
CNC(=O)c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1
|
C16H18N4O2 298.346000 |
UVTKJGAUPBLHOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214032; PubChem:CID69047891
|
Local ready
Direct docking supported
|
|
E3L008966
BDB008966
|
BDBM214033
CCNC(=O)c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1
|
C17H20N4O2 312.373000 |
ZOOKDJDSUUXTOD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214033; PubChem:CID69044237
|
Local ready
Direct docking supported
|
|
E3L008967
BDB008967
|
BDBM214034
CNC(=O)c1ncccc1Cc1n[nH]c(=O)c2c1CCCC2
|
C16H18N4O2 298.346000 |
RTUJDMIHSKLLJS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214034; PubChem:CID69043536
|
Local ready
Direct docking supported
|
|
E3L008968
BDB008968
|
BDBM214035
CCNC(=O)c1ncccc1Cc1n[nH]c(=O)c2c1CCCC2
|
C17H20N4O2 312.373000 |
QJUQXSRLPMVEIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214035; PubChem:CID69046766
|
Local ready
Direct docking supported
|
|
E3L008969
BDB008969
|
BDBM214036
CN(C)S(=O)(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C17H22N4O3S 362.455000 |
VITGHQIXAFPVQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214036; PubChem:CID69090606
|
Local ready
Direct docking supported
|
|
E3L008970
BDB008970
|
BDBM214038
CCCC(=O)Nc1ccc(Cl)c(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C19H22ClN3O2 359.857000 |
KVCVWWNVPZQMBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214038; PubChem:CID134154312
|
Local ready
Direct docking supported
|
|
E3L008971
BDB008971
|
BDBM214040
O=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1
|
C17H18N4O2 310.357000 |
YYTTZYODZZFOQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214040; PubChem:CID69048217
|
Local ready
Direct docking supported
|
|
E3L008972
BDB008972
|
BDBM214041
O=C1CCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1
|
C18H20N4O2 324.384000 |
YOBZVWWJVJYEFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214041; PubChem:CID69045709
|
Local ready
Direct docking supported
|
|
E3L008973
BDB008973
|
BDBM214042
O=c1[nH]nc(Cc2ccnc(Br)c2)c2c1CCCC2
|
C14H14BrN3O 320.190000 |
PWSZYPXZFUGDOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214042; PubChem:CID87671472
|
Local ready
Direct docking supported
|
|
E3L008974
BDB008974
|
BDBM214043
O=C1CCCN1c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1
|
C18H20N4O2 324.384000 |
VBKGTEHUCAIBNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214043; PubChem:CID69043440
|
Local ready
Direct docking supported
|
|
E3L008975
BDB008975
|
BDBM214044
O=C1CCN1c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1
|
C17H18N4O2 310.357000 |
DWFXDGLUHSQHLZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214044; PubChem:CID69042930
|
Local ready
Direct docking supported
|
|
E3L008976
BDB008976
|
BDBM214045
O=C(Nc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1)c1ccccc1
|
C21H20N4O2 360.417000 |
ZHQQIVQDBKEVLM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214045; PubChem:CID69044809
|
Local ready
Direct docking supported
|
|
E3L008977
BDB008977
|
BDBM214046
O=C(Nc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1)c1ccncc1
|
C20H19N5O2 361.405000 |
PCNNZALJVQBHCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214046; PubChem:CID69044954
|
Local ready
Direct docking supported
|
|
E3L008978
BDB008978
|
BDBM214047
O=C(Nc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1)c1cccnc1
|
C20H19N5O2 361.405000 |
NFLYHDCAOYAROF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214047; PubChem:CID69090551
|
Local ready
Direct docking supported
|
|
E3L008979
BDB008979
|
BDBM214048
O=c1[nH]nc(Cc2ccc(-c3ccc(Cc4n[nH]c(=O)c5c4CCCC5)cn3)nc2)c2c1CCCC2
|
C28H28N6O2 480.572000 |
IWAKKXXCZUEQCF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214048; PubChem:CID69089468
|
Local ready
Direct docking supported
|
|
E3L008980
BDB008980
|
BDBM214049
CNC(=O)c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)s1
|
C15H17N3O2S 303.387000 |
UNQHSTCEHPMFKP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214049; PubChem:CID69043239
|
Local ready
Direct docking supported
|