| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009201
BDB009201
|
BDBM214277
Cc1cc(F)ccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H22FN3O2 391.446000 |
IEWWLTJWWFBYLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214277; PubChem:CID69045864
|
Local ready
Direct docking supported
|
|
E3L009202
BDB009202
|
BDBM214278
Cc1cc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1F
|
C23H22FN3O2 391.446000 |
ONUQMTLMQFWRRX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214278; PubChem:CID69041994
|
Local ready
Direct docking supported
|
|
E3L009203
BDB009203
|
BDBM214279
Cc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1Cl
|
C23H22ClN3O2 407.901000 |
ROOZARVTQVRNTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214279; PubChem:CID69045371
|
Local ready
Direct docking supported
|
|
E3L009204
BDB009204
|
BDBM214280
Cc1cc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1Cl
|
C23H22ClN3O2 407.901000 |
XEODZNQRERFCHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214280; PubChem:CID69043842
|
Local ready
Direct docking supported
|
|
E3L009205
BDB009205
|
BDBM214281
Cc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1Br
|
C23H22BrN3O2 452.352000 |
FEQFIASWTKECTE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214281; PubChem:CID69043887
|
Local ready
Direct docking supported
|
|
E3L009206
BDB009206
|
BDBM214282
Cc1cc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1Br
|
C23H22BrN3O2 452.352000 |
XSSBVRAISXSMMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214282; PubChem:CID69043895
|
Local ready
Direct docking supported
|
|
E3L009207
BDB009207
|
BDBM214283
COc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1F
|
C23H22FN3O3 407.445000 |
DPJSCEKMSNWJBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214283; PubChem:CID69044997
|
Local ready
Direct docking supported
|
|
E3L009208
BDB009208
|
BDBM214284
COc1cc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc(C(F)(F)F)c1
|
C24H22F3N3O3 457.452000 |
SSHUBXGSETWCDC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214284; PubChem:CID69043352
|
Local ready
Direct docking supported
|
|
E3L009209
BDB009209
|
BDBM214285
Cc1cccc(O)c1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H23N3O3 389.455000 |
UPKSJFBSCPCDAO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214285; PubChem:CID69042153
|
Local ready
Direct docking supported
|
|
E3L009210
BDB009210
|
BDBM214286
Cc1c(O)cccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H23N3O3 389.455000 |
CKOVLZMDMLWKFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214286; PubChem:CID69044940
|
Local ready
Direct docking supported
|
|
E3L009211
BDB009211
|
BDBM214287
Cc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1O
|
C23H23N3O3 389.455000 |
ISMKXLKVBAPPKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214287; PubChem:CID69046869
|
Local ready
Direct docking supported
|
|
E3L009212
BDB009212
|
BDBM214288
COc1ccc(C)cc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O3 403.482000 |
CHSUPLZHPCZQES-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214288; PubChem:CID69043237
|
Local ready
Direct docking supported
|
|
E3L009213
BDB009213
|
BDBM214289
COc1cc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1C
|
C24H25N3O3 403.482000 |
PLVPTWIALKBMSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214289; PubChem:CID69044247
|
Local ready
Direct docking supported
|
|
E3L009214
BDB009214
|
BDBM214290
COc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1O
|
C23H23N3O4 405.454000 |
WTIMHMONFFECRS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214290; PubChem:CID69044454
|
Local ready
Direct docking supported
|
|
E3L009215
BDB009215
|
BDBM214291
CCOc1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O3 403.482000 |
ZINWEHHODXVSHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214291; PubChem:CID69045339
|
Local ready
Direct docking supported
|
|
E3L009216
BDB009216
|
BDBM214292
CCCOc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O3 417.509000 |
FVAUPHMAXSQKQO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214292; PubChem:CID69042201
|
Local ready
Direct docking supported
|
|
E3L009217
BDB009217
|
BDBM214293
COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C27H31N3O3 445.563000 |
SVVVVLPIAJKXAN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214293; PubChem:CID69042154
|
Local ready
Direct docking supported
|
|
E3L009218
BDB009218
|
BDBM214294
COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H26N4O4 446.507000 |
HNLYXKVDNXQGQG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214294; PubChem:CID69043901
|
Local ready
Direct docking supported
|
|
E3L009219
BDB009219
|
BDBM214295
O=C(Nc1ccc2c(c1)OCCO2)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H23N3O4 417.465000 |
FSERAMLQPGGHRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214295; PubChem:CID69090291
|
Local ready
Direct docking supported
|
|
E3L009220
BDB009220
|
BDBM214296
COc1cc(OC)c(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1Cl
|
C24H24ClN3O4 453.926000 |
YIFAKQGKUQWXQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214296; PubChem:CID69044995
|
Local ready
Direct docking supported
|