| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051661
BDB051661
|
BDBM50306267
O=C1NCC2c3c(cccc31)CCN2C(=O)CN1CCC(c2ccccc2)CC1
|
C24H27N3O2 389.499000 |
ZIOARXINFVOVJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306267; PubChem:CID24771951
|
Local ready
Direct docking supported
|
|
E3L051662
BDB051662
|
BDBM50306268
CN(C)C(=O)CCC(=O)N1CCc2cccc3c2C1CNC3=O
|
C17H21N3O3 315.373000 |
HRFMEINHGNOYPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306268; PubChem:CID24771899
|
Local ready
Direct docking supported
|
|
E3L051663
BDB051663
|
BDBM50306269
O=C(O)CCCC(=O)N1CCc2cccc3c2C1CNC3=O
|
C16H18N2O4 302.330000 |
CFOCNCPFSCAEMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306269; PubChem:CID24771957
|
Local ready
Direct docking supported
|
|
E3L051664
BDB051664
|
BDBM50306270
O=C1NCC2c3c(cccc31)CCN2Cc1ccccc1
|
C18H18N2O 278.355000 |
AKZIIMCENGVIGG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306270; PubChem:CID24772643
|
Local ready
Direct docking supported
|
|
E3L051665
BDB051665
|
BDBM50306271
O=C1NCC2c3c(cccc31)CCN2C(=O)c1ccccc1
|
C18H16N2O2 292.338000 |
AEIOPNXCPINKMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306271; PubChem:CID24772831
|
Local ready
Direct docking supported
|
|
E3L051666
BDB051666
|
BDBM50306272
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccccc1
|
C19H18N2O2 306.365000 |
BKPPSOXVXIFHKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306272; PubChem:CID23642205
|
Local ready
Direct docking supported
|
|
E3L051667
BDB051667
|
BDBM50306273
O=C1NCC2c3c(cccc31)CCN2C(=O)CCc1ccccc1
|
C20H20N2O2 320.392000 |
HASNVWZRUJIGDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306273; PubChem:CID24772713
|
Local ready
Direct docking supported
|
|
E3L051668
BDB051668
|
BDBM50306274
O=C1NCC2c3c(cccc31)CCN2C(=O)Nc1ccccc1
|
C18H17N3O2 307.353000 |
GGYGSHFEXPPXKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306274; PubChem:CID24772716
|
Local ready
Direct docking supported
|
|
E3L051669
BDB051669
|
BDBM50306275
O=C1NCC2c3c(cccc31)CCN2C(=O)NCc1ccccc1
|
C19H19N3O2 321.380000 |
ZRADFFFJPCSXHU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306275; PubChem:CID24772642
|
Local ready
Direct docking supported
|
|
E3L051670
BDB051670
|
BDBM50306276
O=C1NCC2c3c(cccc31)CCN2C(=O)Oc1ccccc1
|
C18H16N2O3 308.337000 |
SWAPKPMITWHVKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306276; PubChem:CID24771902
|
Local ready
Direct docking supported
|
|
E3L051671
BDB051671
|
BDBM50306277
O=C1NCC2c3c(cccc31)CCN2C(=O)OCc1ccccc1
|
C19H18N2O3 322.364000 |
DTGYQLDLIIBHHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306277; PubChem:CID24772644
|
Local ready
Direct docking supported
|
|
E3L051672
BDB051672
|
BDBM50306278
O=C1NCC2c3c(cccc31)CCN2S(=O)(=O)Cc1ccccc1
|
C18H18N2O3S 342.420000 |
NJLXOYXODZFEFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306278; PubChem:CID24772641
|
Local ready
Direct docking supported
|
|
E3L051673
BDB051673
|
BDBM50306279
O=C1NCC2c3c(cccc31)CCN2C(=O)c1ccc(Cl)cc1
|
C18H15ClN2O2 326.783000 |
SOWZVPVKEVDPCF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306279; PubChem:CID24772712
|
Local ready
Direct docking supported
|
|
E3L051674
BDB051674
|
BDBM50306280
O=C1NCC2c3c(cccc31)CCN2C(=O)c1cccc(Cl)c1
|
C18H15ClN2O2 326.783000 |
YCIYQAMHWXRYOZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306280; PubChem:CID46226381
|
Local ready
Direct docking supported
|
|
E3L051675
BDB051675
|
BDBM50306281
O=C1NCC2c3c(cccc31)CCN2C(=O)c1ccccc1Cl
|
C18H15ClN2O2 326.783000 |
LMUUXOLOTYOLAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306281; PubChem:CID46226401
|
Local ready
Direct docking supported
|
|
E3L051676
BDB051676
|
BDBM50306282
O=C1NCC2c3c(cccc31)CCN2C(=O)c1ccc(C(=O)N2CCCNCC2)cc1
|
C24H26N4O3 418.497000 |
NQXJBTPJJMSCCJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306282; PubChem:CID24772196
|
Local ready
Direct docking supported
|
|
E3L051677
BDB051677
|
BDBM50306283
O=C1NCC2c3c(cccc31)CCN2C(=O)c1cccc(C(=O)N2CCCNCC2)c1
|
C24H26N4O3 418.497000 |
ZPQRWSQBYNPWDX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306283; PubChem:CID24772197
|
Local ready
Direct docking supported
|
|
E3L051678
BDB051678
|
5-amino-3,4-dihydroisoquinolin-1(2H)-one
Nc1cccc2c1CCNC2=O
|
C9H10N2O 162.192000 |
RTPKPVYTPRJRBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306284; PubChem:CID18369509
|
Local ready
Direct docking supported
|
|
E3L051679
BDB051679
|
BDBM50306285
O=C1NCc2cccc3cccc1c23
|
C12H9NO 183.210000 |
QGJHNXPHHOCUAH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306285; PubChem:CID10130246
|
Local ready
Direct docking supported
|
|
E3L051680
BDB051680
|
BDBM50306286
O=C1NCC2NCCc3cccc1c32
|
C11H12N2O 188.230000 |
STFMKRBMUMYLTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50306286; PubChem:CID25143886
|
Local ready
Direct docking supported
|