| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061241
BDB061241
|
BDBM50579023
Cc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cccc(-c5cc(=O)c6c(O)cc(O)cc6o5)c4)c3o2)cc1C
|
C32H22O8 534.520000 |
VVTVSTGUXRBSPL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579023; PubChem:CID164618214
|
Local ready
Direct docking supported
|
|
E3L061242
BDB061242
|
BDBM50579024
O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5cccs5)oc34)c2)oc2cc(O)cc(O)c12
|
C28H16O8S 512.495000 |
UGHWDVXMDNCPBP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579024; PubChem:CID164616737
|
Local ready
Direct docking supported
|
|
E3L061243
BDB061243
|
BDBM50579025
O=c1cc(-c2cccc(-c3c(O)cc(O)c4c(=O)cc(-c5ccco5)oc34)c2)oc2cc(O)cc(O)c12
|
C28H16O9 496.427000 |
CMJNWRXMGKHYFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579025; PubChem:CID164623535
|
Local ready
Direct docking supported
|
|
E3L061244
BDB061244
|
BDBM50579026
O=C(C1CC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C24H24N2O6 436.464000 |
ILRIRKDWLSDAHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579026; PubChem:CID164618466
|
Local ready
Direct docking supported
|
|
E3L061245
BDB061245
|
BDBM50579027
O=C(C1CCC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C25H26N2O6 450.491000 |
KGAOIFSCMDMSDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579027; PubChem:CID164622885
|
Local ready
Direct docking supported
|
|
E3L061246
BDB061246
|
BDBM50579028
O=C(C1CCCCC1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C27H30N2O6 478.545000 |
SSDMWDCIGGCLQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579028; PubChem:CID164624131
|
Local ready
Direct docking supported
|
|
E3L061247
BDB061247
|
BDBM50579029
CC(C)C(=O)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C24H26N2O6 438.480000 |
KPZHEWFZIDTJAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579029; PubChem:CID164624686
|
Local ready
Direct docking supported
|
|
E3L061248
BDB061248
|
BDBM50579030
CC(=O)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C22H22N2O6 410.426000 |
SHLSBRPMTUAAJF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579030; PubChem:CID164624905
|
Local ready
Direct docking supported
|
|
E3L061249
BDB061249
|
BDBM50579031
O=C(c1ccccc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C27H24N2O6 472.497000 |
FFIJKBOOTXPUDJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579031; PubChem:CID164612812
|
Local ready
Direct docking supported
|
|
E3L061250
BDB061250
|
BDBM50579032
COc1ccc(C(=O)N2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)cc1
|
C28H26N2O7 502.523000 |
KMTSQCZHPPZSTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579032; PubChem:CID164611296
|
Local ready
Direct docking supported
|
|
E3L061251
BDB061251
|
BDBM50579033
O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C28H23F3N2O6 540.494000 |
NXZPEGDMGQFGRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579033; PubChem:CID164615462
|
Local ready
Direct docking supported
|
|
E3L061252
BDB061252
|
BDBM50579034
O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C27H23ClN2O6 506.942000 |
QRWFCOHKWHDUFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579034; PubChem:CID164614518
|
Local ready
Direct docking supported
|
|
E3L061253
BDB061253
|
BDBM50579035
O=C(c1cccnc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C26H23N3O6 473.485000 |
OUTLMLSWLHAYFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579035; PubChem:CID164618315
|
Local ready
Direct docking supported
|
|
E3L061254
BDB061254
|
BDBM50579036
O=C(c1ccncc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C26H23N3O6 473.485000 |
YIQYXRLMSSLCMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579036; PubChem:CID164622791
|
Local ready
Direct docking supported
|
|
E3L061255
BDB061255
|
BDBM50579037
O=C(c1ccccn1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C26H23N3O6 473.485000 |
YBFDJRDCTPQNDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579037; PubChem:CID164618346
|
Local ready
Direct docking supported
|
|
E3L061256
BDB061256
|
BDBM50579038
O=C(c1cccs1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C25H22N2O6S 478.526000 |
OGVWIQISFGVSEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579038; PubChem:CID164613784
|
Local ready
Direct docking supported
|
|
E3L061257
BDB061257
|
BDBM50579039
O=C(c1ccco1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C25H22N2O7 462.458000 |
JJBMOEKQDKFFPF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579039; PubChem:CID164617419
|
Local ready
Direct docking supported
|
|
E3L061258
BDB061258
|
BDBM50579040
O=C(OCc1ccccc1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
|
C28H26N2O7 502.523000 |
QHZFOEJHNMSPPN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579040; PubChem:CID164613896
|
Local ready
Direct docking supported
|
|
E3L061259
BDB061259
|
BDBM50579041
Cc1cc(C)cc(COC(=O)N2CCN(Cc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)CC2)c1
|
C30H30N2O7 530.577000 |
IYECASUEGHSUDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579041; PubChem:CID164616240
|
Local ready
Direct docking supported
|
|
E3L061260
BDB061260
|
BDBM50579042
O=c1cc(-c2ccc(O)cc2)oc2c(CN3CCN(CC4CC4)CC3)c(O)cc(O)c12
|
C24H26N2O5 422.481000 |
ACGKXTXTVSZEJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50579042; PubChem:CID164618036
|
Local ready
Direct docking supported
|