| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001081
BDB001081
|
BDBM27664
NC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
|
C19H20FN3O3 357.385000 |
LQJGGVQDEYJUQW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27664; PubChem:CID25218486
|
Local ready
Direct docking supported
|
|
E3L001082
BDB001082
|
BDBM27665
NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
|
C25H29N3O4 435.524000 |
AKPOXCRWIFVINR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27665; PubChem:CID11553859
|
Local ready
Direct docking supported
|
|
E3L001083
BDB001083
|
BDBM27666
NC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
|
C25H28FN3O4 453.514000 |
FCXVNULBKZOQHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27666; PubChem:CID25218487
|
Local ready
Direct docking supported
|
|
E3L001084
BDB001084
|
BDBM27667
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CC1
|
C28H29N3O5 487.556000 |
GFQYMQNKGPTUFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27667; PubChem:CID11670314
|
Local ready
Direct docking supported
|
|
E3L001085
BDB001085
|
BDBM27668
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cc(COc3ccccc3C(N)=O)ccc2F)CC1
|
C28H28FN3O5 505.546000 |
FROGFYLCJZTDTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27668; PubChem:CID25218488
|
Local ready
Direct docking supported
|
|
E3L001086
BDB001086
|
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
NC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCNCC2)c1
|
C20H23N3O3 353.422000 |
JLQAPOMVNMZQSX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27669; PubChem:CID25218489
|
Local ready
Direct docking supported
|
|
E3L001087
BDB001087
|
BDBM27670
NC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCNCC2)c1
|
C20H22FN3O3 371.412000 |
LDHQVBVDFHHHIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27670; PubChem:CID25218490
|
Local ready
Direct docking supported
|
|
E3L001088
BDB001088
|
BDBM27671
NC(=O)c1ccccc1OCCc1cccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
|
C26H31N3O4 449.551000 |
YDBRLTBTNWPQGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27671; PubChem:CID25218491
|
Local ready
Direct docking supported
|
|
E3L001089
BDB001089
|
BDBM27672
NC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
|
C26H30FN3O4 467.541000 |
MGRXLBMAFBOFSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27672; PubChem:CID25218492
|
Local ready
Direct docking supported
|
|
E3L001090
BDB001090
|
BDBM27673
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(CCOc3ccccc3C(N)=O)c2)CC1
|
C29H31N3O5 501.583000 |
ZEZFESFLOSRPCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27673; PubChem:CID25218493
|
Local ready
Direct docking supported
|
|
E3L001091
BDB001091
|
BDBM27674
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cc(CCOc3ccccc3C(N)=O)ccc2F)CC1
|
C29H30FN3O5 519.573000 |
POTBWJOPLKRPJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27674; PubChem:CID25218494
|
Local ready
Direct docking supported
|
|
E3L001092
BDB001092
|
BDBM27675
NC(=O)c1cc(F)ccc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
|
C19H19F2N3O3 375.375000 |
DVUDJUWSKVOVGY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27675; PubChem:CID25218495
|
Local ready
Direct docking supported
|
|
E3L001093
BDB001093
|
BDBM27676
NC(=O)c1cc(F)c(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
|
C19H18F3N3O3 393.365000 |
HUFRTUVZAZAWOZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27676; PubChem:CID25218496
|
Local ready
Direct docking supported
|
|
E3L001094
BDB001094
|
BDBM27677
NC(=O)c1ccc(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
|
C19H19F2N3O3 375.375000 |
QDZJTTSVJSHBKF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27677; PubChem:CID25218497
|
Local ready
Direct docking supported
|
|
E3L001095
BDB001095
|
BDBM27678
NC(=O)c1cc(F)cc(F)c1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
|
C19H18F3N3O3 393.365000 |
FLKPINQSXBRFRF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27678; PubChem:CID25218498
|
Local ready
Direct docking supported
|
|
E3L001096
BDB001096
|
BDBM27679
NC(=O)c1c(F)ccc(F)c1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
|
C19H18F3N3O3 393.365000 |
ADLUIRCSIARXRQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27679; PubChem:CID25218499
|
Local ready
Direct docking supported
|
|
E3L001097
BDB001097
|
BDBM27680
NC(=O)c1cc(F)ccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
|
C25H27F2N3O4 471.504000 |
GHUMCLKYJNJQFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27680; PubChem:CID25218500
|
Local ready
Direct docking supported
|
|
E3L001098
BDB001098
|
BDBM27681
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cc(COc3ccc(F)cc3C(N)=O)ccc2F)CC1
|
C28H27F2N3O5 523.536000 |
MOLVTDCKWKCXOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27681; PubChem:CID25218501
|
Local ready
Direct docking supported
|
|
E3L001099
BDB001099
|
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
Cc1cccc2c1CCNC2=O
|
C10H11NO 161.204000 |
RLLZPXDJYADIEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27682; PubChem:CID148140
|
Local ready
Direct docking supported
|
|
E3L001100
BDB001100
|
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
|
C15H13N3O2 267.288000 |
MKRGNKRNZLHINT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27684; PubChem:CID10423087
|
Local ready
Direct docking supported
|