| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049821
BDB049821
|
BDBM50248761
CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C19H25N5O4 387.440000 |
GOEBNVLAMMEWRF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248761; PubChem:CID137634803
|
Local ready
Direct docking supported
|
|
E3L049822
BDB049822
|
BDBM50248762
NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(CC(F)(F)F)CC3)nc12
|
C16H18F3N5O2 369.347000 |
DNTOQLUATWVLNE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248762; PubChem:CID137661452
|
Local ready
Direct docking supported
|
|
E3L049823
BDB049823
|
BDBM50248763
NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(C(=O)C(F)(F)F)CC3)nc12
|
C16H16F3N5O3 383.330000 |
SYHYOFSWVXWDLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248763; PubChem:CID137642996
|
Local ready
Direct docking supported
|
|
E3L049824
BDB049824
|
BDBM50248769
CCCN1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C17H23N5O2 329.404000 |
DAZBXQBALQJCAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248769; PubChem:CID137631560
|
Local ready
Direct docking supported
|
|
E3L049825
BDB049825
|
BDBM50248774
CC(C)CN1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C18H25N5O2 343.431000 |
BBFSJRSHKBEMOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248774; PubChem:CID137643480
|
Local ready
Direct docking supported
|
|
E3L049826
BDB049826
|
BDBM50248775
NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(CC4CC4)CC3)nc12
|
C18H23N5O2 341.415000 |
PLBKTCONLKDBNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248775; PubChem:CID137648314
|
Local ready
Direct docking supported
|
|
E3L049827
BDB049827
|
BDBM50248776
CC(C)(C)CN1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C19H27N5O2 357.458000 |
YNELGSMCPZJXTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248776; PubChem:CID137658605
|
Local ready
Direct docking supported
|
|
E3L049828
BDB049828
|
BDBM50248777
CCC(=O)N1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C16H19N5O3 329.360000 |
ZZQGWELGXOSOLU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248777; PubChem:CID137650468
|
Local ready
Direct docking supported
|
|
E3L049829
BDB049829
|
BDBM50248778
CCC(CC)N1CCN(C(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1=O
|
C18H22FN5O3 375.404000 |
QNJNBXXAVPVJQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248778; PubChem:CID137661641
|
Local ready
Direct docking supported
|
|
E3L049830
BDB049830
|
BDBM50248779
NC(=O)c1cccc2[nH]c(C(=O)N3CCC(NC4CCCCC4)C3)nc12
|
C19H25N5O2 355.442000 |
WTZXJCZLEYCTSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248779; PubChem:CID137651914
|
Local ready
Direct docking supported
|
|
E3L049831
BDB049831
|
BDBM50248789
NC(=O)c1cccc2[nH]c(C(=O)N3CCC(N)CC3)nc12
|
C14H17N5O2 287.323000 |
SAVQIVUHYCZXGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248789; PubChem:CID137650613
|
Local ready
Direct docking supported
|
|
E3L049832
BDB049832
|
BDBM50248790
CCC(CC)N1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C19H27N5O2 357.458000 |
WTOUWPBMYPELKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248790; PubChem:CID137648285
|
Local ready
Direct docking supported
|
|
E3L049833
BDB049833
|
BDBM50248791
NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(C4CCNCC4)CC3)nc12
|
C19H26N6O2 370.457000 |
XZOUPTJQVHVAQV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248791; PubChem:CID137651141
|
Local ready
Direct docking supported
|
|
E3L049834
BDB049834
|
BDBM50248792
CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)C1
|
C18H23N5O4 373.413000 |
OJHWQFZNSQCRKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248792; PubChem:CID137633902
|
Local ready
Direct docking supported
|
|
E3L049835
BDB049835
|
BDBM50248796
CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)C1
|
C18H22FN5O4 391.403000 |
RHUVGODSRRNUTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248796; PubChem:CID137651383
|
Local ready
Direct docking supported
|
|
E3L049836
BDB049836
|
BDBM50248797
CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(N)=O)cc(F)cc3[nH]2)CC1
|
C19H24FN5O4 405.430000 |
JWOWIGMGAXGVQY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248797; PubChem:CID137644549
|
Local ready
Direct docking supported
|
|
E3L049837
BDB049837
|
BDBM50248798
CC(C)(C)OC(=O)N1CCN(C(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1
|
C18H23N5O4 373.413000 |
UOVMRAXIZLPPET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248798; PubChem:CID125504876
|
Local ready
Direct docking supported
|
|
E3L049838
BDB049838
|
BDBM50248799
NC(=O)c1cc(F)cc2[nH]c(C(=O)N3CCNC(=O)C3)nc12
|
C13H12FN5O3 305.269000 |
GBSCUOLWTJKLMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248799; PubChem:CID137654356
|
Local ready
Direct docking supported
|
|
E3L049839
BDB049839
|
2-Piperazin-1-Ylcarbonyl-1h-Benzimidazole-4-Carboxamide
NC(=O)c1cccc2[nH]c(C(=O)N3CCNCC3)nc12
|
C13H15N5O2 273.296000 |
HTXIMVGBKIQCLG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248800; PubChem:CID124037118
|
Local ready
Direct docking supported
|
|
E3L049840
BDB049840
|
BDBM50248801
NC(=O)c1cccc2[nH]c(C(=O)N3C[C@H]4CCCN[C@H]4C3)nc12
|
C16H19N5O2 313.361000 |
XFHBKKPTBUHRGC-SKDRFNHKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50248801; PubChem:CID137634410
|
Local ready
Direct docking supported
|