| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009141
BDB009141
|
BDBM214215
Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1Cl
|
C15H16ClN3O 289.766000 |
QEZWWSVIJUKARF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214215; PubChem:CID69043841
|
Local ready
Direct docking supported
|
|
E3L009142
BDB009142
|
BDBM214216
COc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1N
|
C16H19N3O2 285.347000 |
CTZFFDSDTMFIHR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214216; PubChem:CID69047835
|
Local ready
Direct docking supported
|
|
E3L009143
BDB009143
|
BDBM214217
Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1O
|
C15H17N3O2 271.320000 |
AYWBHZGVEMOIEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214217; PubChem:CID69047832
|
Local ready
Direct docking supported
|
|
E3L009144
BDB009144
|
BDBM214218
Cc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cc1N
|
C16H19N3O 269.348000 |
SZHGLZXFTTWXLL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214218; PubChem:CID69044849
|
Local ready
Direct docking supported
|
|
E3L009145
BDB009145
|
BDBM214219
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1cccc(-c2cccc(C(=O)NCCN(C)C)c2)c1
|
C28H34N4O2 458.606000 |
VKLNTTARAAKNCR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214219; PubChem:CID69308535
|
Local ready
Direct docking supported
|
|
E3L009146
BDB009146
|
BDBM214220
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1cccc(-c2cccc(C(N)=O)c2)c1
|
C24H25N3O2 387.483000 |
HANZQUXQYUKGGV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214220; PubChem:CID69089478
|
Local ready
Direct docking supported
|
|
E3L009147
BDB009147
|
BDBM214221
CC(=O)Nc1cccc(-c2cccc(C(C)Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C25H27N3O2 401.510000 |
ZFVBEFRCHYYEND-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214221; PubChem:CID69090498
|
Local ready
Direct docking supported
|
|
E3L009148
BDB009148
|
BDBM214222
CC(c1cccc(-c2cccc(C(N)=O)c2)c1)c1n[nH]c(=O)c2c1CCCC2
|
C23H23N3O2 373.456000 |
NWZKLXGLXQEEBI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214222; PubChem:CID69090625
|
Local ready
Direct docking supported
|
|
E3L009149
BDB009149
|
BDBM214223
CC(=O)Nc1cccc(-c2cccc(C(C)c3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C24H25N3O2 387.483000 |
WFKMVGZQOHTJQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214223; PubChem:CID69090702
|
Local ready
Direct docking supported
|
|
E3L009150
BDB009150
|
BDBM214224
CC(c1cccc(-c2cccc(C(=O)NCCN(C)C)c2)c1)c1n[nH]c(=O)c2c1CCCC2
|
C27H32N4O2 444.579000 |
LSDXFEXCIQWPIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214224; PubChem:CID69090504
|
Local ready
Direct docking supported
|
|
E3L009151
BDB009151
|
BDBM214225
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1cccc(C(=O)O)c1
|
C18H20N2O3 312.369000 |
TZYYONJLTZXIHZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214225; PubChem:CID69309486
|
Local ready
Direct docking supported
|
|
E3L009152
BDB009152
|
BDBM214227
CC1=C(C)C(=O)N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O
|
C21H20FN3O3 381.407000 |
POIBLRBHRDKEJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214227; PubChem:CID25006846
|
Local ready
Direct docking supported
|
|
E3L009153
BDB009153
|
BDBM214228
O=C1C2CC2C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C20H18FN3O3 367.380000 |
SMBJIWLJUPKKDD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214228; PubChem:CID25006847
|
Local ready
Direct docking supported
|
|
E3L009154
BDB009154
|
BDBM214229
O=C(COc1ccccc1)N1CCNC(Cc2n[nH]c(=O)c3c2CCCC3)C1
|
C21H26N4O3 382.464000 |
QGPCORLYYNSTTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214229; PubChem:CID69043452
|
Local ready
Direct docking supported
|
|
E3L009155
BDB009155
|
BDBM214230
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(Br)c1
|
C17H18BrFN2O 365.246000 |
NATDPRNEHBBMBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214230; PubChem:CID69044840
|
Local ready
Direct docking supported
|
|
E3L009156
BDB009156
|
BDBM214231
O=C(CCC(=O)c1ccccc1)Nc1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1
|
C26H27N3O3 429.520000 |
ONNBYPFKQOGQNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214231; PubChem:CID69048230
|
Local ready
Direct docking supported
|
|
E3L009157
BDB009157
|
BDBM214232
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(N)=O)c2)c1
|
C24H24FN3O2 405.473000 |
YMLBNGULJZAHOS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214232; PubChem:CID69307230
|
Local ready
Direct docking supported
|
|
E3L009158
BDB009158
|
BDBM214233
CC(=O)Nc1cccc(-c2cc(C(C)Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C25H26FN3O2 419.500000 |
BSZIYURUQVDTQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214233; PubChem:CID69090765
|
Local ready
Direct docking supported
|
|
E3L009159
BDB009159
|
BDBM214234
CCc1c(CNS(C)(=O)=O)cccc1C1=CC(=C(C)Cc2n[nH]c(=O)c3c2CCCC3)CC=C1F
|
C27H32FN3O3S 497.636000 |
JZLCDLDSJZPBAS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM214234
|
Local ready
Direct docking supported
|
|
E3L009160
BDB009160
|
BDBM214235
O=C1C2CCCCC2C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C23H24FN3O3 409.461000 |
ZPSKESNMCAXCEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214235; PubChem:CID25003644
|
Local ready
Direct docking supported
|