| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035121
BDB035121
|
BDBM707198
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)NC)=NC4)CC3)=CC2NC1=O
|
C22H33N7O2 427.553000 |
ODODZXNIMAPHSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707198; PubChem:CID172991691
|
Local ready
Direct docking supported
|
|
E3L035122
BDB035122
|
BDBM707199
CCC1Cc2ncc(CN3CCN(C4CN5C=C(C)NC5C=N4)CC3)cc2NC1=O
|
C22H31N7O 409.538000 |
SZTNOTWBVPKSII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707199; PubChem:CID172991692
|
Local ready
Direct docking supported
|
|
E3L035123
BDB035123
|
BDBM707200
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCNCC5)=NC4)CC3)=CC2NC1=O
|
C26H39N7O2 481.645000 |
JSGJEBQIRGWRKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707200; PubChem:CID172991693
|
Local ready
Direct docking supported
|
|
E3L035124
BDB035124
|
BDBM707201
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCN(C)CC5)=NC4)CC3)=CC2NC1=O
|
C27H41N7O2 495.672000 |
BMFOVOSWCFPUBL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707201; PubChem:CID172991694
|
Local ready
Direct docking supported
|
|
E3L035125
BDB035125
|
BDBM707202
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)N[C@@H]5CCNC5)=NC4)CC3)=CC2NC1=O
|
C25H37N7O2 467.618000 |
PAHMDRFJCRAMHP-LTMODYDNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707202; PubChem:CID172991695
|
Local ready
Direct docking supported
|
|
E3L035126
BDB035126
|
BDBM707203
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)N[C@@H]5CCN(C)C5)=NC4)CC3)=CC2NC1=O
|
C26H39N7O2 481.645000 |
IWSMIQHNPYJXMY-YRWGQNJASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707203; PubChem:CID172991696
|
Local ready
Direct docking supported
|
|
E3L035127
BDB035127
|
BDBM707204
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)N[C@H]5CCNC5)=NC4)CC3)=CC2NC1=O
|
C25H37N7O2 467.618000 |
PAHMDRFJCRAMHP-USOVCLTLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707204; PubChem:CID172991697
|
Local ready
Direct docking supported
|
|
E3L035128
BDB035128
|
BDBM707205
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)N[C@H]5CCN(C)C5)=NC4)CC3)=CC2NC1=O
|
C26H39N7O2 481.645000 |
IWSMIQHNPYJXMY-UWQZWUKMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707205; PubChem:CID172991698
|
Local ready
Direct docking supported
|
|
E3L035129
BDB035129
|
BDBM707206
CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CNC5)nc4)CC3)CC2NC1=O
|
C24H33N7O2 451.575000 |
OEHXSQXLPFXDJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707206; PubChem:CID172991699
|
Local ready
Direct docking supported
|
|
E3L035130
BDB035130
|
BDBM707207
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5C=NN(C)C5)=NC4)CC3)=CC2NC1=O
|
C25H36N8O2 480.617000 |
VPIGFOQYAKRFQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707207; PubChem:CID172991700
|
Local ready
Direct docking supported
|
|
E3L035131
BDB035131
|
BDBM707208
CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NCCOC)=NC4)CC3)=CC2NC1=O
|
C24H36N6O3 456.591000 |
LURPSJSRVZZPJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707208; PubChem:CID172991701
|
Local ready
Direct docking supported
|
|
E3L035132
BDB035132
|
BDBM707209
CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CC(F)(F)C5)nc4)CC3)CC2NC1=O
|
C25H32F2N6O2 486.567000 |
PSMGAGLJARYDMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707209; PubChem:CID172991702
|
Local ready
Direct docking supported
|
|
E3L035133
BDB035133
|
BDBM707210
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)C5CC(F)(F)C5)=NC4)CC3)=CC2NC1=O
|
C25H34F2N6O2 488.583000 |
MHNPYTGVKYHGOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707210; PubChem:CID172991703
|
Local ready
Direct docking supported
|
|
E3L035134
BDB035134
|
BDBM707211
CCC1Cc2ncc(CN3CCN(C4C=CC5NC(C)=CN5N4)CC3)cc2NC1=O
|
C22H31N7O 409.538000 |
QHZZHORWAUQNRB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707211; PubChem:CID172991704
|
Local ready
Direct docking supported
|
|
E3L035135
BDB035135
|
BDBM707212
CCc1cc2ncc(CN3CCN(c4ccc(-c5cnn[nH]5)nc4)CC3)cc2[nH]c1=O
|
C22H24N8O 416.489000 |
WNELHAQSSXFXCX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707212; PubChem:CID168156154
|
Local ready
Direct docking supported
|
|
E3L035136
BDB035136
|
BDBM707213
CCc1cc2ncc(CN3CCN(c4ccc(-c5ccn[nH]5)nc4)CC3)cc2[nH]c1=O
|
C23H25N7O 415.501000 |
GMQXOMXDELVSEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707213; PubChem:CID168156113
|
Local ready
Direct docking supported
|
|
E3L035137
BDB035137
|
BDBM707214
CCC1Cc2ncc(CN3CCN(C4C=CC5NC(C)=NN5C4)CC3)cc2NC1=O
|
C22H31N7O 409.538000 |
YJWULKAKPLSFFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707214; PubChem:CID172991705
|
Local ready
Direct docking supported
|
|
E3L035138
BDB035138
|
BDBM707215
CCC1Cc2ncc(CN3CCN(C4C=NC(Nc5ccn(C)n5)=CC4)CC3)cc2NC1=O
|
C24H32N8O 448.575000 |
QNFNMLQZIWMHKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707215; PubChem:CID172991706
|
Local ready
Direct docking supported
|
|
E3L035139
BDB035139
|
BDBM707216
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)C5C=NN(C)C5)=NC4)CC3)=CC2NC1=O
|
C25H36N8O2 480.617000 |
FFYZITVWVZNNTQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707216; PubChem:CID172991707
|
Local ready
Direct docking supported
|
|
E3L035140
BDB035140
|
BDBM707217
CCC1CC2N=CC(CN3CCN(C4C=CC(NC(=O)[C@H]5C[C@H]5F)=NC4)CC3)=CC2NC1=O
|
C24H33FN6O2 456.566000 |
KKGPBCZYXISFPB-HDMRGBBKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM707217; PubChem:CID172991708
|
Local ready
Direct docking supported
|