| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008941
BDB008941
|
BDBM214008
CS(=O)(=O)c1nccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C14H16N4O3S 320.374000 |
NULPTNGVMRGBKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214008; PubChem:CID69044373
|
Local ready
Direct docking supported
|
|
E3L008942
BDB008942
|
BDBM214009
C[S+]([O-])c1nccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C14H16N4O2S 304.375000 |
IGXDWPGTXXPWCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214009; PubChem:CID69043324
|
Local ready
Direct docking supported
|
|
E3L008943
BDB008943
|
BDBM214010
O=c1[nH]nc(Cc2ccncc2Br)c2c1CCCC2
|
C14H14BrN3O 320.190000 |
YOZFRAVBYVPVQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214010; PubChem:CID69044841
|
Local ready
Direct docking supported
|
|
E3L008944
BDB008944
|
BDBM214011
O=c1[nH]nc(Cc2ccc(Br)nc2)c2c1CCCC2
|
C14H14BrN3O 320.190000 |
NTJLMTDENXFKNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214011; PubChem:CID87670858
|
Local ready
Direct docking supported
|
|
E3L008945
BDB008945
|
BDBM214012
O=c1[nH]nc(Cc2cccnc2Br)c2c1CCCC2
|
C14H14BrN3O 320.190000 |
WXOMZXLMMVGFLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214012; PubChem:CID87669448
|
Local ready
Direct docking supported
|
|
E3L008946
BDB008946
|
BDBM214013
COC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C16H17N3O3 299.330000 |
RWCKRMSDNBXMJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214013; PubChem:CID69044929
|
Local ready
Direct docking supported
|
|
E3L008947
BDB008947
|
BDBM214014
CCNC(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1
|
C17H20N4O2 312.373000 |
UWRZLCYAVULWFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214014; PubChem:CID69044387
|
Local ready
Direct docking supported
|
|
E3L008948
BDB008948
|
BDBM214015
CC(C)NC(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1
|
C18H22N4O2 326.400000 |
IULHFCFNOCKJGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214015; PubChem:CID69047860
|
Local ready
Direct docking supported
|
|
E3L008949
BDB008949
|
BDBM214016
O=C(NC1CCCCC1)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccn1
|
C21H26N4O2 366.465000 |
KSGKPMLLGWMFIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214016; PubChem:CID69047859
|
Local ready
Direct docking supported
|
|
E3L008950
BDB008950
|
BDBM214017
CN(CC1CCCCN1C)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H32N4O2 408.546000 |
NVXVGZVMLBZGOZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214017; PubChem:CID69048158
|
Local ready
Direct docking supported
|
|
E3L008951
BDB008951
|
BDBM214018
CN1CCC(CNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C23H30N4O2 394.519000 |
UDAGPVVQVHCXOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214018; PubChem:CID69044374
|
Local ready
Direct docking supported
|
|
E3L008952
BDB008952
|
BDBM214019
CNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C16H18N4O2 298.346000 |
PIYPJSOKHHUVKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214019; PubChem:CID69044932
|
Local ready
Direct docking supported
|
|
E3L008953
BDB008953
|
BDBM214020
CCNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C17H20N4O2 312.373000 |
RUCKZGMWIQGZHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214020; PubChem:CID69044160
|
Local ready
Direct docking supported
|
|
E3L008954
BDB008954
|
BDBM214021
CC(C)NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C18H22N4O2 326.400000 |
DQLYDRNQNBPIAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214021; PubChem:CID69048224
|
Local ready
Direct docking supported
|
|
E3L008955
BDB008955
|
BDBM214022
O=C(NC1CC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C18H20N4O2 324.384000 |
SAFWKZAGAIUHLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214022; PubChem:CID69044284
|
Local ready
Direct docking supported
|
|
E3L008956
BDB008956
|
BDBM214023
O=C(NC1CCCCC1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)n1
|
C21H26N4O2 366.465000 |
MWOJJBFRYVDXTI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214023; PubChem:CID69044962
|
Local ready
Direct docking supported
|
|
E3L008957
BDB008957
|
BDBM214024
COC(=O)c1ncccc1Cc1n[nH]c(=O)c2c1CCCC2
|
C16H17N3O3 299.330000 |
AJMHNXKVKFAGDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214024; PubChem:CID69047312
|
Local ready
Direct docking supported
|
|
E3L008958
BDB008958
|
BDBM214025
COC(=O)c1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1
|
C16H17N3O3 299.330000 |
YLXIKGSYYUBPFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214025; PubChem:CID69042914
|
Local ready
Direct docking supported
|
|
E3L008959
BDB008959
|
BDBM214026
O=c1[nH]nc(Cc2ccc(Br)s2)c2c1CCCC2
|
C13H13BrN2OS 325.231000 |
PKAVOJSGKHFHRZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214026; PubChem:CID69044956
|
Local ready
Direct docking supported
|
|
E3L008960
BDB008960
|
BDBM214027
O=c1[nH]nc(Cc2sccc2Br)c2c1CCCC2
|
C13H13BrN2OS 325.231000 |
IYGNKRDEZQASKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214027; PubChem:CID69047953
|
Local ready
Direct docking supported
|