| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064221
BDB064221
|
PARP7-IN-16 free base
CCC(CC)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C25H27FN4O4 466.513000 |
WKXCQZQWHUTWSY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630251; PubChem:CID146659481
|
Local ready
Direct docking supported
|
|
E3L064222
BDB064222
|
BDBM50630252
CC(C)(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C25H27FN4O4 466.513000 |
FWWPLYZVUBCMHN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630252; PubChem:CID172456159
|
Local ready
Direct docking supported
|
|
E3L064223
BDB064223
|
BDBM50630253
CC(C)C(C)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C25H27FN4O4 466.513000 |
SJFGTXAAKCLIOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630253; PubChem:CID172468369
|
Local ready
Direct docking supported
|
|
E3L064224
BDB064224
|
BDBM50630254
C=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C23H21FN4O4 436.443000 |
HNUBZGFNRGYRML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630254; PubChem:CID172439339
|
Local ready
Direct docking supported
|
|
E3L064225
BDB064225
|
BDBM50630255
CC(C)=CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C25H25FN4O4 464.497000 |
SUFHZCQTMDLDRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630255; PubChem:CID172444450
|
Local ready
Direct docking supported
|
|
E3L064226
BDB064226
|
BDBM50630256
C#CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C23H19FN4O4 434.427000 |
NANHPXHADBZWEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630256; PubChem:CID172441588
|
Local ready
Direct docking supported
|
|
E3L064227
BDB064227
|
BDBM50630257
CN(C)CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C24H26FN5O4 467.501000 |
GVVGCLUTJOAUON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630257; PubChem:CID172439810
|
Local ready
Direct docking supported
|
|
E3L064228
BDB064228
|
BDBM50630258
COCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C23H23FN4O5 454.458000 |
VREYQMOSHXUIOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630258; PubChem:CID164042200
|
Local ready
Direct docking supported
|
|
E3L064229
BDB064229
|
BDBM50630259
COC(=O)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C23H21FN4O6 468.441000 |
HTMPMXJFMOUCOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630259; PubChem:CID172459694
|
Local ready
Direct docking supported
|
|
E3L064230
BDB064230
|
BDBM50630260
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CCCO
|
C23H23FN4O5 454.458000 |
SBJGLDKVXLKVPI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630260; PubChem:CID172452888
|
Local ready
Direct docking supported
|
|
E3L064231
BDB064231
|
BDBM50630261
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CC1
|
C24H23FN4O4 450.470000 |
SRPQZLVMAZBVEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630261; PubChem:CID172456644
|
Local ready
Direct docking supported
|
|
E3L064232
BDB064232
|
BDBM50630262
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CCC1CC1
|
C25H25FN4O4 464.497000 |
POPCEFBMGMRZJG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630262; PubChem:CID172470399
|
Local ready
Direct docking supported
|
|
E3L064233
BDB064233
|
BDBM50630263
O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CCN(C2CCCC2)C(=O)C1
|
C25H25FN4O4 464.497000 |
GMJHIXVSXIAXBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630263; PubChem:CID172471351
|
Local ready
Direct docking supported
|
|
E3L064234
BDB064234
|
BDBM50630264
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CCCC1
|
C26H27FN4O4 478.524000 |
FICCKZPDRHVIJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630264; PubChem:CID172442045
|
Local ready
Direct docking supported
|
|
E3L064235
BDB064235
|
BDBM50630265
CC(C1CCCC1)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C27H29FN4O4 492.551000 |
HDOXYDHZDFTFMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630265; PubChem:CID172456013
|
Local ready
Direct docking supported
|
|
E3L064236
BDB064236
|
BDBM50630266
O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CCN(C2CCCCC2)C(=O)C1
|
C26H27FN4O4 478.524000 |
SDTRERMWZQTLRS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630266; PubChem:CID172454731
|
Local ready
Direct docking supported
|
|
E3L064237
BDB064237
|
BDBM50630267
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC1CCCCC1
|
C27H29FN4O4 492.551000 |
XMLOXTGVMSYKHN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630267; PubChem:CID172457794
|
Local ready
Direct docking supported
|
|
E3L064238
BDB064238
|
BDBM50630268
CC(C1CCCCC1)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C28H31FN4O4 506.578000 |
ADAAOWJCZJSQAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630268; PubChem:CID172455642
|
Local ready
Direct docking supported
|
|
E3L064239
BDB064239
|
BDBM50630269
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1Cc1ccccc1
|
C27H23FN4O4 486.503000 |
AGYRIAKSKBQPQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630269; PubChem:CID172456889
|
Local ready
Direct docking supported
|
|
E3L064240
BDB064240
|
BDBM50630270
O=C(c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F)N1CCN(c2ccccc2)C(=O)C1
|
C26H21FN4O4 472.476000 |
HUQDBDMQKROGGR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630270; PubChem:CID172457453
|
Local ready
Direct docking supported
|