| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007281
BDB007281
|
6-(3-Hydroxypropoxy)phenanthridine-3-carboxylic acid
O=C(O)c1ccc2c(c1)nc(OCCCO)c1ccccc12
|
C17H15NO4 297.310000 |
FPKDRTWKHDPOQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165200; PubChem:CID57664236
|
Local ready
Direct docking supported
|
|
E3L007282
BDB007282
|
3-(2H-tetrazol-5-yl)-5H-phenanthridin-6-one
O=c1[nH]c2cc(-c3nnn[nH]3)ccc2c2ccccc12
|
C14H9N5O 263.260000 |
AKNIDSUYOQTONF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165201; PubChem:CID57664074
|
Local ready
Direct docking supported
|
|
E3L007283
BDB007283
|
BDBM165202
O=C(O)c1ccc2c(c1)[nH]c(=O)c1ccncc12
|
C13H8N2O3 240.218000 |
FNBQKJSMQWRTEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165202; PubChem:CID57664047
|
Local ready
Direct docking supported
|
|
E3L007284
BDB007284
|
BDBM165203
COC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc12
|
C14H10N2O3 254.245000 |
OKXJYDKHLBHDPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165203; PubChem:CID50942139
|
Local ready
Direct docking supported
|
|
E3L007285
BDB007285
|
Methyl 4-chlorothieno[3,2-c]quinoline-7-carboxylate
COC(=O)c1ccc2c(c1)nc(Cl)c1ccsc12
|
C13H8ClNO2S 277.732000 |
BVIRSYKUGCSJIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165213; PubChem:CID50941760
|
Local ready
Direct docking supported
|
|
E3L007286
BDB007286
|
BDBM165329
O=C(O)c1ccc2c3sccc3c(=O)n(CCCO)c2c1
|
C15H13NO4S 303.339000 |
YITYPCHIVQKNBR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165329; PubChem:CID50941758
|
Local ready
Direct docking supported
|
|
E3L007287
BDB007287
|
7-(1H-tetrazol-5-yl)thieno[3,2-c]quinolin-4(5H)-one
O=c1[nH]c2cc(-c3nn[nH]n3)ccc2c2sccc12
|
C12H7N5OS 269.289000 |
YBFLHFDCBXZEEX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165331; PubChem:CID57500657
|
Local ready
Direct docking supported
|
|
E3L007288
BDB007288
|
BDBM165332
CN(C)CCn1c(=O)c2ccsc2c2ccc(C(=O)O)cc21
|
C16H16N2O3S 316.382000 |
MYUZKBJPMCQURR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM165332; PubChem:CID57500660
|
Local ready
Direct docking supported
|
|
E3L007289
BDB007289
|
3-oxo-2-piperidin-4-yl-1H-indazole-4-carboxamide
NC(=O)c1cccc2[nH]n(C3CCNCC3)c(=O)c12
|
C13H16N4O2 260.297000 |
OQWUKVQDDJFORM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167408; PubChem:CID71239620
|
Local ready
Direct docking supported
|
|
E3L007290
BDB007290
|
BDBM167409
NC(=O)c1cccc2[nH]n(C3CCN(C4CCCC4)CC3)c(=O)c12
|
C18H24N4O2 328.416000 |
OVJIYLSTZRNOLG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167409; PubChem:CID71239696
|
Local ready
Direct docking supported
|
|
E3L007291
BDB007291
|
BDBM167410
NC(=O)c1cccc2[nH]n(C3CCN(C4CCCCC4)CC3)c(=O)c12
|
C19H26N4O2 342.443000 |
XEWGITPSXRGTBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167410; PubChem:CID71239676
|
Local ready
Direct docking supported
|
|
E3L007292
BDB007292
|
BDBM167411
NC(=O)c1cccc2[nH]n(C3CCN(C4CCC(F)(F)CC4)CC3)c(=O)c12
|
C19H24F2N4O2 378.423000 |
WEUSDVLSZAFNCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167411; PubChem:CID71240235
|
Local ready
Direct docking supported
|
|
E3L007293
BDB007293
|
BDBM167412
Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C2CCCCC2)CC1
|
C20H28N4O2 356.470000 |
XPKUFZAKPWQMOR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167412; PubChem:CID71239731
|
Local ready
Direct docking supported
|
|
E3L007294
BDB007294
|
BDBM167413
Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C2CCC(F)(F)CC2)CC1
|
C20H26F2N4O2 392.450000 |
IMXAAXJRLKLQGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167413; PubChem:CID71239730
|
Local ready
Direct docking supported
|
|
E3L007295
BDB007295
|
BDBM167414
Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C2CCCC2)CC1
|
C19H26N4O2 342.443000 |
NPMKKPKCZJHHCM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167414; PubChem:CID71239818
|
Local ready
Direct docking supported
|
|
E3L007296
BDB007296
|
BDBM167415
CN1CCC(n2[nH]c3cccc(C(N)=O)c3c2=O)CC1
|
C14H18N4O2 274.324000 |
SBXCLTZHGFAEGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167415; PubChem:CID71239724
|
Local ready
Direct docking supported
|
|
E3L007297
BDB007297
|
1-Methyl-3-oxo-2-piperidin-4-ylindazole-4-carboxamide
Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCNCC1
|
C14H18N4O2 274.324000 |
XCMZWTDSYWVLET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167416; PubChem:CID71239624
|
Local ready
Direct docking supported
|
|
E3L007298
BDB007298
|
BDBM167417
CC(C)N1CCC(n2c(=O)c3c(C(N)=O)cccc3n2C)CC1
|
C17H24N4O2 316.405000 |
QTAAMFZROWGTBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167417; PubChem:CID71240095
|
Local ready
Direct docking supported
|
|
E3L007299
BDB007299
|
BDBM167418
NC(=O)c1cccc2[nH]n(C3CCN(C4CCC4)CC3)c(=O)c12
|
C17H22N4O2 314.389000 |
VPFGQWNBEHLGLL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167418; PubChem:CID71239604
|
Local ready
Direct docking supported
|
|
E3L007300
BDB007300
|
BDBM167419
Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C2CCC2)CC1
|
C18H24N4O2 328.416000 |
QNLAVJXTBVYHBB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM167419; PubChem:CID71239629
|
Local ready
Direct docking supported
|