| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L014381
BDB014381
|
BDBM332727
CN(C)C(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1
|
C20H22FN7O2 411.441000 |
LKYPVXWXVLFVHO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332727; PubChem:CID87055881
|
Local ready
Direct docking supported
|
|
E3L014382
BDB014382
|
BDBM332728
N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1
|
C17H15FN8O 366.360000 |
WEVVLIFIANWDRM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332728; PubChem:CID87055882
|
Local ready
Direct docking supported
|
|
E3L014383
BDB014383
|
BDBM332729
Cc1cccnc1N1CCN(c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1
|
C18H19FN6O 354.389000 |
ZUKYFGDYJUNVPZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332729; PubChem:CID121385113
|
Local ready
Direct docking supported
|
|
E3L014384
BDB014384
|
BDBM332730
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc12
|
C18H16F4N6O 408.359000 |
GDPVLLLJNTVSBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332730; PubChem:CID87055956
|
Local ready
Direct docking supported
|
|
E3L014385
BDB014385
|
BDBM332731
CNC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1
|
C18H19FN8O2 398.402000 |
WAAYHOHCJMXLOY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332731; PubChem:CID87056032
|
Local ready
Direct docking supported
|
|
E3L014386
BDB014386
|
BDBM332732
CNC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nn1
|
C18H19FN8O2 398.402000 |
AZNXAQYVWWINDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332732; PubChem:CID87055957
|
Local ready
Direct docking supported
|
|
E3L014387
BDB014387
|
BDBM332734
CNC(=O)c1ccc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)nc1
|
C19H20FN7O2 397.414000 |
KBJNQEXQZCCCOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332734; PubChem:CID87056033
|
Local ready
Direct docking supported
|
|
E3L014388
BDB014388
|
BDBM332735
CNC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C18H19FN8O2 398.402000 |
HIAMFGLRVMMJLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332735; PubChem:CID87055958
|
Local ready
Direct docking supported
|
|
E3L014389
BDB014389
|
BDBM332736
CCNC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C19H21FN8O2 412.429000 |
FLLBSTJIOALPDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332736; PubChem:CID87056034
|
Local ready
Direct docking supported
|
|
E3L014390
BDB014390
|
BDBM332737
CC(C)NC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C20H23FN8O2 426.456000 |
JJVZDCUYGSFLSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332737; PubChem:CID87055959
|
Local ready
Direct docking supported
|
|
E3L014391
BDB014391
|
BDBM332738
CC(C)CNC(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C21H25FN8O2 440.483000 |
XBPGTZRFYLGJHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332738; PubChem:CID121385115
|
Local ready
Direct docking supported
|
|
E3L014392
BDB014392
|
BDBM332739
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4cnc(C(=O)N5CCCC5)cn4)CC3)nc12
|
C21H23FN8O2 438.467000 |
IXPBUTAULXTNHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332739; PubChem:CID87055960
|
Local ready
Direct docking supported
|
|
E3L014393
BDB014393
|
BDBM332740
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4cnc(C(=O)N5CCOCC5)cn4)CC3)nc12
|
C21H23FN8O3 454.466000 |
FSDPVSVZRIMJBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332740; PubChem:CID87056036
|
Local ready
Direct docking supported
|
|
E3L014394
BDB014394
|
BDBM332741
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ccc(C(F)(F)F)nn4)CC3)nc12
|
C17H15F4N7O 409.347000 |
COAOWCUGAQKYPR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332741; PubChem:CID87055961
|
Local ready
Direct docking supported
|
|
E3L014395
BDB014395
|
BDBM332742
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ccc(C(F)(F)F)nc4)CC3)nc12
|
C18H16F4N6O 408.359000 |
PMUWXGFBZHLMRT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332742; PubChem:CID87056115
|
Local ready
Direct docking supported
|
|
E3L014396
BDB014396
|
BDBM332743
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4cnc(C(F)(F)F)nc4)CC3)nc12
|
C17H15F4N7O 409.347000 |
KDUFSYHSVLCKNP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332743; PubChem:CID87056116
|
Local ready
Direct docking supported
|
|
E3L014397
BDB014397
|
BDBM332744
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4ncc(C(F)(F)F)cn4)CC3)nc12
|
C17H15F4N7O 409.347000 |
UQWVXWCMUJLWOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332744; PubChem:CID87056120
|
Local ready
Direct docking supported
|
|
E3L014398
BDB014398
|
BDBM332745
NC(=O)c1cc(F)cc2[nH]c(N3CCN(c4cnc(C(F)(F)F)cn4)CC3)nc12
|
C17H15F4N7O 409.347000 |
VXBQDDCNIVLAPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332745; PubChem:CID87056117
|
Local ready
Direct docking supported
|
|
E3L014399
BDB014399
|
BDBM332746
CN(C)C(=O)c1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C19H21FN8O2 412.429000 |
CRIRLGZULJOJKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332746; PubChem:CID87054892
|
Local ready
Direct docking supported
|
|
E3L014400
BDB014400
|
BDBM332747
N#Cc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
|
C17H15FN8O 366.360000 |
UWKKGXSTZXVPNK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM332747; PubChem:CID86345879
|
Local ready
Direct docking supported
|