| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012261
BDB012261
|
BDBM259619
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1
|
C24H24N6O3 444.495000 |
GVSKTDUUGXDISO-JCNLHEQBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259619
|
Local ready
Direct docking supported
|
|
E3L012262
BDB012262
|
BDBM259620
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ncccn3)o2)CC1
|
C23H23N7O3 445.483000 |
QYZHBNQPOSMBLU-SHTZXODSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259620
|
Local ready
Direct docking supported
|
|
E3L012263
BDB012263
|
BDBM259623
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1
|
C24H24N6O3 444.495000 |
SEKWIJSPRHUPBY-JCNLHEQBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259623
|
Local ready
Direct docking supported
|
|
E3L012264
BDB012264
|
BDBM259625
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(C3CCCCC3)o2)CC1
|
C25H31N5O3 449.555000 |
WWVDXSBPLKUBDQ-IYARVYRRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259625
|
Local ready
Direct docking supported
|
|
E3L012265
BDB012265
|
BDBM259626
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(Cc3ccccc3)o2)CC1
|
C26H27N5O3 457.534000 |
RFRDRPSDZPFVTE-WGSAOQKQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259626
|
Local ready
Direct docking supported
|
|
E3L012266
BDB012266
|
BDBM259627
CC(C)(c1ccccc1)c1nnc([C@H]2CC[C@H](NC(=O)CCc3nc4ccccc4c(=O)[nH]3)CC2)o1
|
C28H31N5O3 485.588000 |
HLVLEHUMDYFMLI-KESTWPANSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259627
|
Local ready
Direct docking supported
|
|
E3L012267
BDB012267
|
BDBM259629
O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1
|
C23H23N7O3 445.483000 |
USJIPGUTADKMST-SHTZXODSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259629
|
Local ready
Direct docking supported
|
|
E3L012268
BDB012268
|
BDBM259631
O=C(CCSc1cc(=O)n2ccccc2n1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C25H25N5O3S 475.574000 |
KUJBLNYPSGEQPW-WGSAOQKQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259631
|
Local ready
Direct docking supported
|
|
E3L012269
BDB012269
|
BDBM259632
O=C(CCSc1nc2ccc(F)cc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1
|
C25H24FN5O3S 493.564000 |
PISGRABFIARWBA-SAABIXHNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM259632
|
Local ready
Direct docking supported
|
|
E3L012270
BDB012270
|
BDBM263924
Cc1cc(O)n(-c2cc(C(=O)O)ccn2)n1
|
C10H9N3O3 219.200000 |
KAHITAMALHBXDQ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM263924
|
Local ready
Direct docking supported
|
|
E3L012271
BDB012271
|
BDBM263932
O=C(O)c1ccnc(-n2nc(C3CC3)cc2O)c1
|
C12H11N3O3 245.238000 |
WEZPYYZPYXGXHK-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM263932
|
Local ready
Direct docking supported
|
|
E3L012272
BDB012272
|
BDBM263933
Cc1nn(-c2cc(C(=O)O)ccn2)c(O)c1C
|
C11H11N3O3 233.227000 |
ZTSZMVPLKHSHGA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263933
|
Local ready
Direct docking supported
|
|
E3L012273
BDB012273
|
BDBM263934
Cc1nn(-c2cc(C(=O)O)ccn2)c(O)c1-c1ccccc1
|
C16H13N3O3 295.298000 |
VMLMHVMQZCMCBR-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263934
|
Local ready
Direct docking supported
|
|
E3L012274
BDB012274
|
BDBM263935
O=C(O)c1ccnc(-n2nc(-c3ccccc3F)cc2O)c1
|
C15H10FN3O3 299.261000 |
AGEAFYTUQGJREF-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263935
|
Local ready
Direct docking supported
|
|
E3L012275
BDB012275
|
BDBM263936
CCCc1cc(O)n(-c2cc(C(=O)O)ccn2)n1
|
C12H13N3O3 247.254000 |
VYUQZEXRXAXQKG-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM263936
|
Local ready
Direct docking supported
|
|
E3L012276
BDB012276
|
BDBM263937
O=C(O)c1ccnc(-n2nc(-c3ccccc3Cl)cc2O)c1
|
C15H10ClN3O3 315.716000 |
CXXOKDSMTHKIAI-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263937
|
Local ready
Direct docking supported
|
|
E3L012277
BDB012277
|
BDBM263938
O=C(O)c1ccnc(-n2nc(Cc3ccccc3)cc2O)c1
|
C16H13N3O3 295.298000 |
GAAWGDKZMZYRLG-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263938
|
Local ready
Direct docking supported
|
|
E3L012278
BDB012278
|
BDBM263939
COCc1cc(O)n(-c2cc(C(=O)O)ccn2)n1
|
C11H11N3O4 249.226000 |
XRHOGEKRJFLZGA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263939
|
Local ready
Direct docking supported
|
|
E3L012279
BDB012279
|
BDBM263940
O=C(O)c1ccnc(-n2nc(COc3ccccc3)cc2O)c1
|
C16H13N3O4 311.297000 |
JFEKVRDZSRWNEZ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263940
|
Local ready
Direct docking supported
|
|
E3L012280
BDB012280
|
BDBM263941
O=C(O)c1ccnc(-n2nccc2O)c1
|
C9H7N3O3 205.173000 |
TWWVYJCIKYFEJM-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB
BindingDB:BDBM263941
|
Local ready
Direct docking supported
|