| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035861
BDB035861
|
BDBM717584
CCc1cc2ncc(CN3CC(N(C)c4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H26N6O2 406.490000 |
VOFZBTWKIZRALN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717584; PubChem:CID166088917
|
Local ready
Direct docking supported
|
|
E3L035862
BDB035862
|
BDBM717586
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)N[C@@H]5C[C@@H]5F)nc4)CC3)cc2[nH]c1=O
|
C25H26FN5O2 447.514000 |
YYWUIISKCGYSCT-PZJWPPBQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717586; PubChem:CID168177315
|
Local ready
Direct docking supported
|
|
E3L035863
BDB035863
|
BDBM717587
CCc1cc2ncc(CN3CC=C(c4cn5cc(C)nc5cn4)CC3)cc2[nH]c1=O
|
C23H24N6O 400.486000 |
RVSNVRSENSWCMU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717587; PubChem:CID168177320
|
Local ready
Direct docking supported
|
|
E3L035864
BDB035864
|
BDBM717588
CCc1cc2ncc(C=C3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H25N5O2 403.486000 |
ARKOILBEZZXGMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717588; PubChem:CID168177325
|
Local ready
Direct docking supported
|
|
E3L035865
BDB035865
|
BDBM717589
CCc1cc2ncc(CC3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H27N5O2 405.502000 |
GLISXMBKINPABQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717589; PubChem:CID168177314
|
Local ready
Direct docking supported
|
|
E3L035866
BDB035866
|
BDBM717590
CCc1cc2ncc(CN3CC=C(c4ccc(NC(=O)c5cnn(C)c5)nc4)CC3)cc2[nH]c1=O
|
C26H27N7O2 469.549000 |
PSFPJGVJKPHRPK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717590; PubChem:CID168177330
|
Local ready
Direct docking supported
|
|
E3L035867
BDB035867
|
BDBM717591
CCc1cc2ncc(C=C3CCN(c4ccc(C(=O)Nc5cnn(C)c5)nc4)CC3)cc2[nH]c1=O
|
C26H27N7O2 469.549000 |
OUIIFMPZYMXWMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717591; PubChem:CID168177323
|
Local ready
Direct docking supported
|
|
E3L035868
BDB035868
|
BDBM717592
CCc1cc2ncc(CN3CC=C(c4cn5cc(C(F)(F)F)nc5cn4)CC3)cc2[nH]c1=O
|
C23H21F3N6O 454.456000 |
LYQLTACSHPILIX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM717592; PubChem:CID168177327
|
Local ready
Direct docking supported
|
|
E3L035869
BDB035869
|
BDBM718701
CC1CC(c2cccc(-c3cnc4ccc(CN5CCC[C@H](C)C5)cn4c3=O)c2)(c2nncn2C)C1
|
C29H34N6O 482.632000 |
MPYIRNJMHIRFTR-JPZAJBPPSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718701; PubChem:CID168237913
|
Local ready
Direct docking supported
|
|
E3L035870
BDB035870
|
BDBM718768
CC1CC(c2cccc(-c3cnc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)(c2nncn2C)C1
|
C30H33F3N6O 550.629000 |
WDFOPWTYGWLKBR-QORSJFMISA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718768
|
Local ready
Direct docking supported
|
|
E3L035871
BDB035871
|
BDBM718769
C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3ncc(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)c(=O)n3c2)C1
|
C30H33F3N6O 550.629000 |
WDFOPWTYGWLKBR-QWQFASRJSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718769
|
Local ready
Direct docking supported
|
|
E3L035872
BDB035872
|
BDBM718770
C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3ncc(-c4cccc([C@]5(c6nncn6C)C[C@H](C)C5)c4)c(=O)n3c2)C1
|
C30H33F3N6O 550.629000 |
WDFOPWTYGWLKBR-SGHJWQDXSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718770
|
Local ready
Direct docking supported
|
|
E3L035873
BDB035873
|
BDBM718771
COc1cc(CN2CCC[C@H](C)C2)cn2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)cnc12
|
C30H36N6O2 512.658000 |
IFOURWWHEXKLMV-UGBVZGCJSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718771; PubChem:CID170269995
|
Local ready
Direct docking supported
|
|
E3L035874
BDB035874
|
BDBM718772
CC1CC(c2cccc(-c3cnc4c(C(F)(F)F)cc(CN5CCO[C@H](C)C5)cn4c3=O)c2)(c2nncn2C)C1
|
C29H31F3N6O2 552.601000 |
KHXQBZSNCDNERB-WXYVZSEASA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718772; PubChem:CID170270011
|
Local ready
Direct docking supported
|
|
E3L035875
BDB035875
|
BDBM718773
C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3ncc(-c4cccc(C5(Cc6nncn6C)COC5)c4)c(=O)n3c2)C1
|
C29H31F3N6O2 552.601000 |
WRBLUZASBATALQ-IBGZPJMESA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718773; PubChem:CID170270076
|
Local ready
Direct docking supported
|
|
E3L035876
BDB035876
|
BDBM718774
CC1CC(c2cccc(-c3cn(C)c4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cc4c3=O)c2)(c2nncn2C)C1
|
C32H36F3N5O 563.668000 |
WKGIAQDXNBFTME-YHWLLRHBSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718774; PubChem:CID170270148
|
Local ready
Direct docking supported
|
|
E3L035877
BDB035877
|
BDBM718775
CC1CC(c2cccc(-c3cnc4c(F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)(c2nncn2C)C1
|
C29H33FN6O 500.622000 |
NWHVHNCGMAQQCE-QORSJFMISA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718775; PubChem:CID170270155
|
Local ready
Direct docking supported
|
|
E3L035878
BDB035878
|
BDBM718776
CC1CC(c2cccc(-c3cnc4c(Cl)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)(c2nncn2C)C1
|
C29H33ClN6O 517.077000 |
BRNSXJDGMKJDLP-QORSJFMISA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718776; PubChem:CID170270156
|
Local ready
Direct docking supported
|
|
E3L035879
BDB035879
|
BDBM718777
Cc1cc(CN2CCC[C@H](C)C2)cn2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)cnc12
|
C30H36N6O 496.659000 |
LYGKUMNMGZLHHK-UGBVZGCJSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718777; PubChem:CID170270172
|
Local ready
Direct docking supported
|
|
E3L035880
BDB035880
|
BDBM718778
CCc1cc(CN2CCC[C@H](C)C2)cn2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)cnc12
|
C31H38N6O 510.686000 |
RJWQAHPDQMLHMW-NQVHTCEKSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718778; PubChem:CID170270173
|
Local ready
Direct docking supported
|