| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051801
BDB051801
|
BDBM50309252
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(Cc5ccc(F)cc5)CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C30H33F2N5O3 549.622000 |
HLSPKSKIHXWFRR-PMERELPUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309252; PubChem:CID46229797
|
Local ready
Direct docking supported
|
|
E3L051802
BDB051802
|
BDBM50309253
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@]4(Cc5ccc(F)cc5)CCCN4)CC3)c2)n[nH]c(=O)c1C
|
C30H33F2N5O3 549.622000 |
HLSPKSKIHXWFRR-SSEXGKCCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309253; PubChem:CID46229844
|
Local ready
Direct docking supported
|
|
E3L051803
BDB051803
|
BDBM50309347
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CC1)NCNC2=O
|
C22H20Cl2FN5O3 492.338000 |
XOLKYLRDCOMHDC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309347; PubChem:CID46230051
|
Local ready
Direct docking supported
|
|
E3L051804
BDB051804
|
BDBM50309348
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCN2)CC1
|
C22H21Cl2FN4O2 463.340000 |
JVAQCWQFAYIGHQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309348; PubChem:CID46230050
|
Local ready
Direct docking supported
|
|
E3L051805
BDB051805
|
BDBM50309349
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCCN2)CC1
|
C24H25Cl2FN4O2 491.394000 |
SNLNDEXRVZSRLX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309349; PubChem:CID46229996
|
Local ready
Direct docking supported
|
|
E3L051806
BDB051806
|
BDBM50309350
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCC2)CC1
|
C23H23Cl2FN4O2 477.367000 |
WIUDIZPAQFOMCD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309350; PubChem:CID46229995
|
Local ready
Direct docking supported
|
|
E3L051807
BDB051807
|
BDBM50309351
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCCC2)CC1
|
C24H25Cl2FN4O2 491.394000 |
CZOIIHSTWAZOKV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309351; PubChem:CID46216812
|
Local ready
Direct docking supported
|
|
E3L051808
BDB051808
|
BDBM50309352
CCN(CC)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C24H27Cl2FN4O2 493.410000 |
HCAOOPPQWIGYNP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309352; PubChem:CID46229947
|
Local ready
Direct docking supported
|
|
E3L051809
BDB051809
|
BDBM50309353
CN(C)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C22H23Cl2FN4O2 465.356000 |
LGYROJGFXLLJDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309353; PubChem:CID46229946
|
Local ready
Direct docking supported
|
|
E3L051810
BDB051810
|
BDBM50309354
CNC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C21H21Cl2FN4O2 451.329000 |
SPDWBQPBSXORQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309354; PubChem:CID46230429
|
Local ready
Direct docking supported
|
|
E3L051811
BDB051811
|
BDBM50309355
NC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C20H19Cl2FN4O2 437.302000 |
HRUCWUHJVHMCSF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309355; PubChem:CID46229945
|
Local ready
Direct docking supported
|
|
E3L051812
BDB051812
|
BDBM50309356
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncnc3ccccc23)CC1
|
C27H21Cl2FN6O2 551.409000 |
RYGUYLPUSPBYMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309356; PubChem:CID46230428
|
Local ready
Direct docking supported
|
|
E3L051813
BDB051813
|
BDBM50309357
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncc3ccccc3n2)CC1
|
C27H21Cl2FN6O2 551.409000 |
BGCVPVYSYBYSLA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309357; PubChem:CID46229944
|
Local ready
Direct docking supported
|
|
E3L051814
BDB051814
|
BDBM50309358
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2cc3ccccc3cn2)CC1
|
C28H22Cl2FN5O2 550.421000 |
JKEBRBIRLXIQRZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309358; PubChem:CID46229889
|
Local ready
Direct docking supported
|
|
E3L051815
BDB051815
|
BDBM50309359
COc1cccnc1N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C25H22Cl2FN5O3 530.387000 |
CRIKPZLHYXGADY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309359; PubChem:CID46229888
|
Local ready
Direct docking supported
|
|
E3L051816
BDB051816
|
BDBM50309360
N#Cc1ccc(N2CCN(C(=O)c3cc(Cc4c[nH]c(=O)c5cc(Cl)c(Cl)n45)ccc3F)CC2)nc1
|
C25H19Cl2FN6O2 525.371000 |
NIGYPPWMILKYQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309360; PubChem:CID46229887
|
Local ready
Direct docking supported
|
|
E3L051817
BDB051817
|
BDBM50309361
N#Cc1cccnc1N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
|
C25H19Cl2FN6O2 525.371000 |
XTUYRPPWPRCLEA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309361; PubChem:CID46229851
|
Local ready
Direct docking supported
|
|
E3L051818
BDB051818
|
BDBM50309362
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncccn2)CC1
|
C23H19Cl2FN6O2 501.349000 |
CFGURPLVDZLPKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309362; PubChem:CID46229850
|
Local ready
Direct docking supported
|
|
E3L051819
BDB051819
|
BDBM50309363
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2cccnc2)CC1
|
C24H20Cl2FN5O2 500.361000 |
ANYJNHMAMLLSCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309363; PubChem:CID46230427
|
Local ready
Direct docking supported
|
|
E3L051820
BDB051820
|
BDBM50309364
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ccccn2)CC1
|
C24H20Cl2FN5O2 500.361000 |
HFJVTAHWORYIOK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50309364; PubChem:CID46229849
|
Local ready
Direct docking supported
|