| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060341
BDB060341
|
BDBM50549284
CN(C)C1CCN(Cc2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1
|
C22H26ClN5O 411.937000 |
LDHUQQITRYLWDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549284; PubChem:CID137412270
|
Local ready
Direct docking supported
|
|
E3L060342
BDB060342
|
BDBM50549285
NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCNCC4)cc3)nn12
|
C19H20ClN5O 369.856000 |
GVWNHAMURMWVQG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549285; PubChem:CID137412252
|
Local ready
Direct docking supported
|
|
E3L060343
BDB060343
|
BDBM50549286
NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCN(C5CC5)CC4)cc3)nn12
|
C22H24ClN5O 409.921000 |
MZCKCDMDQWJOCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549286; PubChem:CID137412267
|
Local ready
Direct docking supported
|
|
E3L060344
BDB060344
|
BDBM50549287
CC(C)N1CCN(Cc2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1
|
C22H26ClN5O 411.937000 |
CVCBYTQZVPPRSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549287; PubChem:CID137412237
|
Local ready
Direct docking supported
|
|
E3L060345
BDB060345
|
BDBM50549288
NC(=O)c1cc(Cl)c2ccc(-c3ccc(CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nn12
|
C26H23ClF3N5O 513.951000 |
KTJMSKZSISHSHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549288; PubChem:CID137412225
|
Local ready
Direct docking supported
|
|
E3L060346
BDB060346
|
BDBM50549289
COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)C1
|
C20H19ClN4O3 398.850000 |
RVPAXZXQSVSLMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549289; PubChem:CID137412300
|
Local ready
Direct docking supported
|
|
E3L060347
BDB060347
|
BDBM50549290
COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1
|
C21H21ClN4O3 412.877000 |
GPXQDPCQYYBAFD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549290; PubChem:CID137412303
|
Local ready
Direct docking supported
|
|
E3L060348
BDB060348
|
BDBM50549291
COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)c(F)c2)C1
|
C20H18ClFN4O3 416.840000 |
CHJDNSMGJXGZKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549291; PubChem:CID162658718
|
Local ready
Direct docking supported
|
|
E3L060349
BDB060349
|
BDBM50549292
COC1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)c(F)c2)CC1
|
C21H20ClFN4O3 430.867000 |
BWEVAPYDOAENAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549292; PubChem:CID137412298
|
Local ready
Direct docking supported
|
|
E3L060350
BDB060350
|
BDBM50549293
NC(=O)c1cc(Cl)c2ccc(-c3ccc(C(=O)N4CCNCC4)cc3)nn12
|
C19H18ClN5O2 383.839000 |
CXHGLEPFSZKWBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549293; PubChem:CID137412273
|
Local ready
Direct docking supported
|
|
E3L060351
BDB060351
|
BDBM50549294
NC(=O)c1cc(Cl)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3)nn12
|
C23H22ClN5O3 451.914000 |
WCRCQGGPLLIBNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549294; PubChem:CID137412271
|
Local ready
Direct docking supported
|
|
E3L060352
BDB060352
|
BDBM50549295
CC(C)CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(Cl)cc(C(N)=O)n4n3)cc2)CC1
|
C24H26ClN5O3 467.957000 |
UORYBBKJEVGLPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549295; PubChem:CID137412272
|
Local ready
Direct docking supported
|
|
E3L060353
BDB060353
|
BDBM50549296
NC(=O)c1cc(Cl)c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3F)nn12
|
C23H21ClFN5O3 469.904000 |
MEQMFJBVIPUYPA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549296; PubChem:CID137412274
|
Local ready
Direct docking supported
|
|
E3L060354
BDB060354
|
BDBM50549297
NC(=O)c1cc(Cl)c2ccc(-c3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)nn12
|
C23H21ClFN5O3 469.904000 |
CAJKKMXPOIHDHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549297; PubChem:CID137412264
|
Local ready
Direct docking supported
|
|
E3L060355
BDB060355
|
BDBM50549298
NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CCNC4)cnn12
|
C15H13ClN4OS 332.816000 |
QFZBUSJLFWEDKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549298; PubChem:CID162658227
|
Local ready
Direct docking supported
|
|
E3L060356
BDB060356
|
BDBM50549299
NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CNCC4)cnn12
|
C15H13ClN4OS 332.816000 |
GDUDWHVXWZWKMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549299; PubChem:CID162648348
|
Local ready
Direct docking supported
|
|
E3L060357
BDB060357
|
BDBM50549300
NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CCNC4C3CC3)cnn12
|
C18H17ClN4OS 372.881000 |
SCBGTSGFUYWYFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549300; PubChem:CID162647116
|
Local ready
Direct docking supported
|
|
E3L060358
BDB060358
|
BDBM50549301
CC(C)CC1NCCc2sc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)cc21
|
C19H21ClN4OS 388.924000 |
NJUHFSGXAQRMKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549301; PubChem:CID162656644
|
Local ready
Direct docking supported
|
|
E3L060359
BDB060359
|
BDBM50549302
CC(C)(C)C1NCCc2sc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)cc21
|
C19H21ClN4OS 388.924000 |
QEZFXBJCFJZWMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549302; PubChem:CID162660141
|
Local ready
Direct docking supported
|
|
E3L060360
BDB060360
|
BDBM50549303
CC(C)CC1NCCc2cc(-c3cnn4c(C(N)=O)cc(Cl)c4c3)sc21
|
C19H21ClN4OS 388.924000 |
AVTNDVTVXDIHDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50549303; PubChem:CID162646687
|
Local ready
Direct docking supported
|