| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040861
BDB040861
|
BDBM767570
C[C@H]1C(=O)NC2CC(CN3CCN(c4ccc(C(N)=O)nc4F)CC3)C=C3C(F)=CN1C32
|
C22H26F2N6O2 444.486000 |
FDVALHOZSZSRPJ-OQXCUPQDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767570; PubChem:CID177821793
|
Local ready
Direct docking supported
|
|
E3L040862
BDB040862
|
BDBM767571
CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(ccn5C(C)(C)C(=O)N4)c3)CC2)c(F)n1
|
C24H27FN6O2 450.518000 |
HPAHIIGPVDRZLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767571; PubChem:CID171544902
|
Local ready
Direct docking supported
|
|
E3L040863
BDB040863
|
BDBM767572
CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)c(F)nn5[C@@H](C)C(=O)N4)CC2)c(F)n1
|
C22H23F2N7O2 455.469000 |
IXVYIQVZFUMBEX-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767572; PubChem:CID176874612
|
Local ready
Direct docking supported
|
|
E3L040864
BDB040864
|
BDBM767573
CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)c(F)nn5[C@H](C)C(=O)N4)CC2)c(F)n1
|
C22H23F2N7O2 455.469000 |
IXVYIQVZFUMBEX-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767573; PubChem:CID176874528
|
Local ready
Direct docking supported
|
|
E3L040865
BDB040865
|
BDBM767574
CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(cnn5[C@H](C)C(=O)N4)c3)CC2)c(F)n1
|
C22H24FN7O2 437.479000 |
VLMVOSJOXGYKLH-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767574; PubChem:CID176874544
|
Local ready
Direct docking supported
|
|
E3L040866
BDB040866
|
BDBM767575
CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(cnn5[C@@H](C)C(=O)N4)c3)CC2)c(F)n1
|
C22H24FN7O2 437.479000 |
VLMVOSJOXGYKLH-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767575; PubChem:CID176874512
|
Local ready
Direct docking supported
|
|
E3L040867
BDB040867
|
BDBM767576
CNC(=O)c1ccc(N2CCN(Cc3cc4cnn5c4c(c3F)NC(=O)[C@H]5C)CC2)c(F)n1
|
C22H23F2N7O2 455.469000 |
LDFUBEDQIXYKAS-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767576; PubChem:CID171544936
|
Local ready
Direct docking supported
|
|
E3L040868
BDB040868
|
BDBM767577
CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)ncn5[C@H](C)C(=O)N4)CC2)c(F)n1
|
C22H24FN7O2 437.479000 |
WYAGWRHVNYECCF-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767577; PubChem:CID171544939
|
Local ready
Direct docking supported
|
|
E3L040869
BDB040869
|
BDBM767578
CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)ncn5[C@@H](C)C(=O)N4)CC2)c(F)n1
|
C22H24FN7O2 437.479000 |
WYAGWRHVNYECCF-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767578; PubChem:CID176874499
|
Local ready
Direct docking supported
|
|
E3L040870
BDB040870
|
BDBM767579
C[C@@H]1C(=O)NC2C(F)=C(CN3CCN(C4C=CCN(C)C4F)CC3)C=C3C(F)=CN1C32
|
C22H28F3N5O 435.494000 |
FRTYCOFZECQXQT-DZYKAYEXSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767579; PubChem:CID177821794
|
Local ready
Direct docking supported
|
|
E3L040871
BDB040871
|
BDBM767580
C[C@H]1C(=O)NC2C(F)=C(CN3CCN(C4C=CCN(C)C4F)CC3)C=C3C(F)=CN1C32
|
C22H28F3N5O 435.494000 |
FRTYCOFZECQXQT-XHWNJDGESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM767580; PubChem:CID177821795
|
Local ready
Direct docking supported
|
|
E3L040872
BDB040872
|
US12409171, Name RG-0005655
Cc1cccc(C(=O)N[C@@H]2C(=O)N(C)c3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(F)cc2)c1
|
C28H25FN4O2 468.532000 |
MQTYASPHVDMCSB-DQEYMECFSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768423; PubChem:CID155424353
|
Local ready
Direct docking supported
|
|
E3L040873
BDB040873
|
US12409171, Name RG-0005656
CC(=O)N1C(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21
|
C29H25FN4O3 496.542000 |
WUHQEKOSJBJGNT-UIOOFZCWSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768424; PubChem:CID155424350
|
Local ready
Direct docking supported
|
|
E3L040874
BDB040874
|
US12409171, Name RG-0005665
CCC(C)n1nc(C)c2c1N(C(C)=O)C(=O)[C@@H](NC(=O)c1cccc(C)c1)[C@H]2c1ccc(F)cc1
|
C27H29FN4O3 476.552000 |
BFHNOUNIZBSWPB-XVIIWGICSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768425; PubChem:CID164940372
|
Local ready
Direct docking supported
|
|
E3L040875
BDB040875
|
US12409171, Name RG-0007411
CCCn1nc(C)c2c1N(C)C(=O)[C@@H](NC(=O)c1cccc(C)c1)[C@H]2c1ccc(F)cc1
|
C25H27FN4O2 434.515000 |
YZALKPFAVSXSSX-VXKWHMMOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768426; PubChem:CID155424260
|
Local ready
Direct docking supported
|
|
E3L040876
BDB040876
|
US12409171, Name RG-0007412
Cc1cccc(C(=O)N[C@@H]2C(=O)N(C)c3c(c(C)nn3C(C)(C)C)[C@@H]2c2ccc(F)cc2)c1
|
C26H29FN4O2 448.542000 |
OSSOUALBNQPYDM-VXKWHMMOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768427; PubChem:CID155520078
|
Local ready
Direct docking supported
|
|
E3L040877
BDB040877
|
US12409171, Name RG-0007413
CCN1C(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21
|
C29H27FN4O2 482.559000 |
GGBFASGLUFFKGJ-UIOOFZCWSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768428; PubChem:CID155415365
|
Local ready
Direct docking supported
|
|
E3L040878
BDB040878
|
US12409171, Name RG-0007415
CCCN1C(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H](c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c21
|
C30H29FN4O2 496.586000 |
WPJHWAIUSOXNCN-SVBPBHIXSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768429; PubChem:CID164940387
|
Local ready
Direct docking supported
|
|
E3L040879
BDB040879
|
US12409171, Name RG-0008665
CCCn1nc(C)c2c1N(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)[C@H]2c1ccc(F)cc1
|
C26H29FN4O2 448.542000 |
UEWLLTPQKUNFNQ-GOTSBHOMSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768430; PubChem:CID155525108
|
Local ready
Direct docking supported
|
|
E3L040880
BDB040880
|
US12409171, Name RG-0008666
CCCN1C(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H](c2ccc(F)cc2)c2c(C)nn(CCC)c21
|
C27H31FN4O2 462.569000 |
OYLZLCMXTRMDGM-ZEQRLZLVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM768431; PubChem:CID164940412
|
Local ready
Direct docking supported
|