| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046961
BDB046961
|
BDBM50154726
O=NCc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H14FN3O2 323.327000 |
IJLWIXONXRLUSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154726; PubChem:CID90786541
|
Local ready
Direct docking supported
|
|
E3L046962
BDB046962
|
BDBM50154727
CO/N=C/c1cn2c3c(cccc13)C(=O)NCC2
|
C13H13N3O2 243.266000 |
MPYDWEZEBNJFME-VIZOYTHASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154727; PubChem:CID11195895
|
Local ready
Direct docking supported
|
|
E3L046963
BDB046963
|
BDBM50154728
CNCc1cccc(-c2cc3cccc4c3n2CCNC4=O)c1
|
C19H19N3O 305.381000 |
QCAKFSWVNMXCGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154728; PubChem:CID11232005
|
Local ready
Direct docking supported
|
|
E3L046964
BDB046964
|
BDBM50154729
O=C1NCCn2c(-c3ccc(Cl)cc3)cc3cccc1c32
|
C17H13ClN2O 296.757000 |
FXLDELDJSTWDOH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154729; PubChem:CID9839168
|
Local ready
Direct docking supported
|
|
E3L046965
BDB046965
|
BDBM50154730
CN(C)Cc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1
|
C20H21N3O 319.408000 |
PISBNXWDAGANOP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154730; PubChem:CID9797108
|
Local ready
Direct docking supported
|
|
E3L046966
BDB046966
|
BDBM50154731
O=C1NCCn2cc(C(O)c3ccccc3)c3cccc1c32
|
C18H16N2O2 292.338000 |
PWWOQBLCBMLCNU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154731; PubChem:CID11300812
|
Local ready
Direct docking supported
|
|
E3L046967
BDB046967
|
BDBM50154732
O=C(c1ccccc1)c1cn2c3c(cccc13)C(=O)NCC2
|
C18H14N2O2 290.322000 |
YVZHPJCOYCRXKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154732; PubChem:CID11335260
|
Local ready
Direct docking supported
|
|
E3L046968
BDB046968
|
BDBM50154733
Cc1c(-c2ccccc2)n2c3c(cccc13)C(=O)NCC2
|
C18H16N2O 276.339000 |
XQQUQIZBUDDTEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154733; PubChem:CID11403138
|
Local ready
Direct docking supported
|
|
E3L046969
BDB046969
|
BDBM50154734
O=C1NCCn2cc(I)c3cccc1c32
|
C11H9IN2O 312.110000 |
BQQZPTFXOIOELM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154734; PubChem:CID11483768
|
Local ready
Direct docking supported
|
|
E3L046970
BDB046970
|
BDBM50154735
O=NCc1cn2c3c(cccc13)C(=O)NCC2
|
C12H11N3O2 229.239000 |
NFHNOVBWWYSALN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154735; PubChem:CID91933102
|
Local ready
Direct docking supported
|
|
E3L046971
BDB046971
|
BDBM50154736
O=C1NCCn2c(-c3ccc(F)cc3)c(-c3cc[nH]n3)c3cccc1c32
|
C20H15FN4O 346.365000 |
QLAWXEAEDQPMMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154736; PubChem:CID11336928
|
Local ready
Direct docking supported
|
|
E3L046972
BDB046972
|
BDBM50154737
Cc1c(-c2cccc(C(F)(F)F)c2)n2c3c(cccc13)C(=O)NCC2
|
C19H15F3N2O 344.336000 |
HZGLQVMBKDBTTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154737; PubChem:CID11186992
|
Local ready
Direct docking supported
|
|
E3L046973
BDB046973
|
BDBM50154738
N=NNCc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H16FN5O 337.358000 |
KJSOHAHEBXGLQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154738; PubChem:CID91933103
|
Local ready
Direct docking supported
|
|
E3L046974
BDB046974
|
BDBM50154739
O=NCc1c(-c2ccc(Cl)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H14ClN3O2 339.782000 |
QEHIFSSBVSPFIV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154739; PubChem:CID91933104
|
Local ready
Direct docking supported
|
|
E3L046975
BDB046975
|
BDBM50154740
CN(C)Cc1cccc(-c2cc3cccc4c3n2CCNC4=O)c1
|
C20H21N3O 319.408000 |
KIQMZGJJRUMUMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154740; PubChem:CID11301623
|
Local ready
Direct docking supported
|
|
E3L046976
BDB046976
|
BDBM50154741
COc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1
|
C18H16N2O2 292.338000 |
AZYLAFXUHVEYAA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154741; PubChem:CID11162143
|
Local ready
Direct docking supported
|
|
E3L046977
BDB046977
|
BDBM50154742
O=C1NCCn2c(-c3cccc(Cn4cccc4)c3)cc3cccc1c32
|
C22H19N3O 341.414000 |
GHZKAWUMZVOORN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154742; PubChem:CID44396740
|
Local ready
Direct docking supported
|
|
E3L046978
BDB046978
|
BDBM50154743
O=C1NCCn2ccc3cccc1c32
|
C11H10N2O 186.214000 |
QRHVTJIEPZZTNF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154743; PubChem:CID206931
|
Local ready
Direct docking supported
|
|
E3L046979
BDB046979
|
BDBM50154744
N#Cc1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H12FN3O 305.312000 |
BYVZANXKKWSBJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154744; PubChem:CID11381183
|
Local ready
Direct docking supported
|
|
E3L046980
BDB046980
|
BDBM50154745
NC(=O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2
|
C18H14FN3O2 323.327000 |
NEVYJPLDJMLMLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50154745; PubChem:CID11324750
|
Local ready
Direct docking supported
|