| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063421
BDB063421
|
BDBM50618066
Cc1c2ccc(N(C)c3cc(C(F)(F)F)nc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)cc2nn1C
|
C30H25F3N10O2 614.592000 |
NHXPKWBZZUXBEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618066; PubChem:CID172464275
|
Local ready
Direct docking supported
|
|
E3L063422
BDB063422
|
BDBM50618067
Cc1cnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)nc1N(C)c1ccc2c(C)n(C)nc2c1
|
C29H27N9O 517.597000 |
IIPGRCOLWREKPK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618067; PubChem:CID172458263
|
Local ready
Direct docking supported
|
|
E3L063423
BDB063423
|
BDBM50618068
Cc1cc(N(C)c2ccc3c(C)n(C)nc3c2)nc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C29H27N9O 517.597000 |
SXPWYWOGJYTTPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618068; PubChem:CID172441526
|
Local ready
Direct docking supported
|
|
E3L063424
BDB063424
|
BDBM50618069
COc1cc(N(C)c2ccc3c(C)n(C)nc3c2)nc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C29H27N9O2 533.596000 |
DXEAHURUCBYHMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618069; PubChem:CID172450307
|
Local ready
Direct docking supported
|
|
E3L063425
BDB063425
|
BDBM50618070
Cc1c2ccc(N(C)c3nc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4)nc4ccsc34)cc2nn1C
|
C30H25N9OS 559.659000 |
VPZDQYJIRRLJFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618070; PubChem:CID172445598
|
Local ready
Direct docking supported
|
|
E3L063426
BDB063426
|
BDBM50618071
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4F)n3)cc2nn1C
|
C28H24FN9O 521.560000 |
IREPUOWDSBPZJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618071; PubChem:CID172451668
|
Local ready
Direct docking supported
|
|
E3L063427
BDB063427
|
BDBM50618072
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)c(Cl)c4)n3)cc2nn1C
|
C28H24ClN9O 538.015000 |
FTSAWKSGYOJZKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618072; PubChem:CID172444073
|
Local ready
Direct docking supported
|
|
E3L063428
BDB063428
|
BDBM50618073
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C
|
C29H24F3N9O 571.567000 |
MXRUTZNINHIVTE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618073; PubChem:CID172463696
|
Local ready
Direct docking supported
|
|
E3L063429
BDB063429
|
BDBM50618074
Cc1c2ccc(N(C)c3ccnc(Nc4cc(F)c(-c5nc6c(C(N)=O)cccc6[nH]5)c(F)c4)n3)cc2nn1C
|
C28H23F2N9O 539.550000 |
UEEAPWCOJZPFBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618074; PubChem:CID172469357
|
Local ready
Direct docking supported
|
|
E3L063430
BDB063430
|
BDBM50618075
COc1cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)ccc1-c1nc2c(C(N)=O)cccc2[nH]1
|
C29H27N9O2 533.596000 |
LKPWUFPDTJUJNQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618075; PubChem:CID172444682
|
Local ready
Direct docking supported
|
|
E3L063431
BDB063431
|
BDBM50618076
Cc1cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cnc1-c1nc2c(C(N)=O)cccc2[nH]1
|
C28H26N10O 518.585000 |
CSGHPSLYQBFKEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618076; PubChem:CID172463175
|
Local ready
Direct docking supported
|
|
E3L063432
BDB063432
|
BDBM50618077
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5ccc(-c6nc7c(C(N)=O)cccc7[nH]6)cc5)cc4)n3)cc2nn1C
|
C34H29N9O 579.668000 |
FCOPXWHSTOLCAJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618077; PubChem:CID172450951
|
Local ready
Direct docking supported
|
|
E3L063433
BDB063433
|
BDBM50618078
Cc1c2ccc(N(C)c3ccnc(Nc4cc5cc(-c6nc7c(C(N)=O)cccc7[nH]6)ccc5s4)n3)cc2nn1C
|
C30H25N9OS 559.659000 |
AXVJLHNEUCXOHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618078; PubChem:CID172445276
|
Local ready
Direct docking supported
|
|
E3L063434
BDB063434
|
BDBM50618079
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)cc4F)n3)cc2nn1C
|
C29H25FN10O2 564.585000 |
HLOAWTDOVMWWAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618079; PubChem:CID172468852
|
Local ready
Direct docking supported
|
|
E3L063435
BDB063435
|
BDBM50618080
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)c(Cl)c4)n3)cc2nn1C
|
C29H25ClN10O2 581.040000 |
NTRILMYKFBMEBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618080; PubChem:CID172455162
|
Local ready
Direct docking supported
|
|
E3L063436
BDB063436
|
BDBM50618081
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)c(C(F)(F)F)c4)n3)cc2nn1C
|
C30H25F3N10O2 614.592000 |
DIXJAUCKOHDBNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618081; PubChem:CID172444372
|
Local ready
Direct docking supported
|
|
E3L063437
BDB063437
|
BDBM50618082
Cc1c2ccc(N(C)c3ccnc(Nc4cc(F)c(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)c(F)c4)n3)cc2nn1C
|
C29H24F2N10O2 582.575000 |
WHHFINHFBVESNP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618082; PubChem:CID172462318
|
Local ready
Direct docking supported
|
|
E3L063438
BDB063438
|
BDBM50618083
Cc1c2ccc(N(C)c3ccnc(Nc4cccc(-c5nc6c(C(N)=O)cccc6[nH]5)c4)n3)cc2nn1C
|
C28H25N9O 503.570000 |
IBWYFZTUWYBKBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618083; PubChem:CID172449903
|
Local ready
Direct docking supported
|
|
E3L063439
BDB063439
|
Vegfr/parp-IN-1
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1-c1nc2c(C(N)=O)cccc2[nH]1
|
C29H27N9O 517.597000 |
DCYHJVFMNYSPNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618084; PubChem:CID168510442
|
Local ready
Direct docking supported
|
|
E3L063440
BDB063440
|
BDBM50618085
COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1Nc1nccc(N(C)c2ccc3c(C)n(C)nc3c2)n1
|
C29H27N9O2 533.596000 |
UZPYETATKJIYAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618085; PubChem:CID172453969
|
Local ready
Direct docking supported
|