| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009241
BDB009241
|
BDBM214317
O=C(NCCc1cccnc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H24N4O2 388.471000 |
NCDKUYAXMYPSED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214317; PubChem:CID69042853
|
Local ready
Direct docking supported
|
|
E3L009242
BDB009242
|
BDBM214318
O=C(NCCc1ccncc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H24N4O2 388.471000 |
CEVGFKHYIKTWRW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214318; PubChem:CID69044877
|
Local ready
Direct docking supported
|
|
E3L009243
BDB009243
|
BDBM214319
COc1ccccc1CCNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H27N3O3 417.509000 |
OUPLVTHEZPCRQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214319; PubChem:CID69044851
|
Local ready
Direct docking supported
|
|
E3L009244
BDB009244
|
BDBM214320
COc1cccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C25H27N3O3 417.509000 |
LWCFPYFAGCJOOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214320; PubChem:CID69043463
|
Local ready
Direct docking supported
|
|
E3L009245
BDB009245
|
BDBM214321
COc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O3 417.509000 |
VHEJDQVRGLWSKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214321; PubChem:CID69043334
|
Local ready
Direct docking supported
|
|
E3L009246
BDB009246
|
BDBM214322
O=C(NCCc1ccccc1F)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24FN3O2 405.473000 |
CRPRSBTXVQHAAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214322; PubChem:CID69044127
|
Local ready
Direct docking supported
|
|
E3L009247
BDB009247
|
BDBM214323
O=C(NCCc1cccc(F)c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24FN3O2 405.473000 |
VBGIQHRVOAQSFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214323; PubChem:CID69042850
|
Local ready
Direct docking supported
|
|
E3L009248
BDB009248
|
BDBM214324
O=C(NCCc1ccc(F)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24FN3O2 405.473000 |
LQCUWHGZHSRNDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214324; PubChem:CID69044926
|
Local ready
Direct docking supported
|
|
E3L009249
BDB009249
|
BDBM214325
O=C(NCCc1ccccc1Cl)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24ClN3O2 421.928000 |
WGRZTONXPSDOOY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214325; PubChem:CID69044536
|
Local ready
Direct docking supported
|
|
E3L009250
BDB009250
|
BDBM214326
O=C(NCCc1cccc(Cl)c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24ClN3O2 421.928000 |
KDMHWDHHBBZSGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214326; PubChem:CID69046870
|
Local ready
Direct docking supported
|
|
E3L009251
BDB009251
|
BDBM214327
O=C(NCCc1ccc(Cl)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24ClN3O2 421.928000 |
WCLXNJUOACLYKE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214327; PubChem:CID69044835
|
Local ready
Direct docking supported
|
|
E3L009252
BDB009252
|
BDBM214328
O=C(NCCc1cccc(Br)c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24BrN3O2 466.379000 |
WFRHJXROGLAJMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214328; PubChem:CID69043858
|
Local ready
Direct docking supported
|
|
E3L009253
BDB009253
|
BDBM214329
O=C(NCCc1ccc(Br)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H24BrN3O2 466.379000 |
VIGXCNJGXOENFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214329; PubChem:CID69044261
|
Local ready
Direct docking supported
|
|
E3L009254
BDB009254
|
BDBM214330
O=C(NCCc1ccc(-c2ccccc2)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C30H29N3O2 463.581000 |
LZCKBXGREMRBKP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214330; PubChem:CID69090390
|
Local ready
Direct docking supported
|
|
E3L009255
BDB009255
|
BDBM214331
O=C(NCCc1cccc(C(F)(F)F)c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H24F3N3O2 455.480000 |
CXQJRVSKMBFHKB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214331; PubChem:CID69043834
|
Local ready
Direct docking supported
|
|
E3L009256
BDB009256
|
BDBM214332
O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H24F3N3O2 455.480000 |
IZQWEDFRWZIRGD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214332; PubChem:CID69044129
|
Local ready
Direct docking supported
|
|
E3L009257
BDB009257
|
BDBM214333
O=C(NCCc1ccc(Oc2ccccc2)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C30H29N3O3 479.580000 |
BRJUOJHIUFPNPT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214333; PubChem:CID69043271
|
Local ready
Direct docking supported
|
|
E3L009258
BDB009258
|
BDBM214334
Cc1ccc(CCc2ccc(CCNC(=O)c3cccc(Cc4n[nH]c(=O)c5c4CCCC5)c3)cc2)cc1C
|
C34H37N3O2 519.689000 |
GXIRKDZXJMPELS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214334; PubChem:CID134142516
|
Local ready
Direct docking supported
|
|
E3L009259
BDB009259
|
BDBM214335
Cc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)c1
|
C26H29N3O2 415.537000 |
CMIQOJPJIXEMAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214335; PubChem:CID69047164
|
Local ready
Direct docking supported
|
|
E3L009260
BDB009260
|
BDBM214336
Cc1ccc(C)c(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C26H29N3O2 415.537000 |
WCKBEYNHXITTDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214336; PubChem:CID69044829
|
Local ready
Direct docking supported
|