| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039561
BDB039561
|
BDBM756560
[2H]C([2H])(c1cccc(-c2cnn(C([2H])([2H])[2H])c2)c1)N1CCC2(COc3c2ccc2c3CN([C@H]3CCC(=O)NC3=O)C2=O)C(F)(F)C1
|
C30H29F2N5O4 566.619509 |
NNEXECMHLRTZPN-XOERSAAZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756560
|
Local ready
Direct docking supported
|
|
E3L039562
BDB039562
|
BDBM756561
[2H]C([2H])([2H])n1cc(-c2cccc(CN3CCC4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)c2)cn1
|
C30H29F2N5O4 564.607305 |
NNEXECMHLRTZPN-OYLFJCJHSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756561
|
Local ready
Direct docking supported
|
|
E3L039563
BDB039563
|
BDBM756562
[2H]C([2H])(c1cccc(-c2cnn(C)c2)c1)N1CCC2(COc3c2ccc2c3CN([C@H]3CCC(=O)NC3=O)C2=O)C(F)(F)C1
|
C30H29F2N5O4 563.601204 |
NNEXECMHLRTZPN-FBIFGVKISA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM756562
|
Local ready
Direct docking supported
|
|
E3L039564
BDB039564
|
BDBM756563
Cn1cc(-c2cccc(CN3CC[C@]4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)c2)cn1
|
C30H29F2N5O4 561.589000 |
NNEXECMHLRTZPN-PWUYWRBVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756563; PubChem:CID169201217
|
Local ready
Direct docking supported
|
|
E3L039565
BDB039565
|
BDBM756564
Cn1cc(-c2cccc(CN3CC[C@@]4(COc5c4ccc4c5CN([C@H]5CCC(=O)NC5=O)C4=O)C(F)(F)C3)c2)cn1
|
C30H29F2N5O4 561.589000 |
NNEXECMHLRTZPN-OUTSHDOLSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM756564; PubChem:CID169201198
|
Local ready
Direct docking supported
|
|
E3L039566
BDB039566
|
BDBM756565
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cscc34)CC2)c(C)n1
|
C24H25N5O2S 447.564000 |
VKMZDQDDIAQHOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756565; PubChem:CID171572826
|
Local ready
Direct docking supported
|
|
E3L039567
BDB039567
|
BDBM756566
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3sccc34)CC2)c(C)n1
|
C24H25N5O2S 447.564000 |
QNPIRVLIJKKNNX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756566; PubChem:CID171572834
|
Local ready
Direct docking supported
|
|
E3L039568
BDB039568
|
BDBM756567
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ccoc34)CC2)c(C)n1
|
C24H25N5O3 431.496000 |
ZTEDLCUEUUWRAT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756567; PubChem:CID169780977
|
Local ready
Direct docking supported
|
|
E3L039569
BDB039569
|
BDBM756568
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cn[nH]c34)CC2)c(C)n1
|
C23H25N7O2 431.500000 |
LBGWJOVJGRVENJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756568; PubChem:CID171572930
|
Local ready
Direct docking supported
|
|
E3L039570
BDB039570
|
BDBM756569
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cnn(C)c34)CC2)c(C)n1
|
C24H27N7O2 445.527000 |
LQMGIPSONLJQKI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756569; PubChem:CID171572782
|
Local ready
Direct docking supported
|
|
E3L039571
BDB039571
|
BDBM756570
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cn(C)nc34)CC2)c(C)n1
|
C24H27N7O2 445.527000 |
HTAGMYVANSVUBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756570; PubChem:CID171572920
|
Local ready
Direct docking supported
|
|
E3L039572
BDB039572
|
BDBM756571
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3[nH]ccc34)CC2)c(C)n1
|
C24H26N6O2 430.512000 |
UBEFBAUYCKAVDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756571; PubChem:CID169782507
|
Local ready
Direct docking supported
|
|
E3L039573
BDB039573
|
BDBM756572
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3c4ccn3C)CC2)c(C)n1
|
C25H28N6O2 444.539000 |
SIYIOSPVPCJZFQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756572; PubChem:CID172560219
|
Local ready
Direct docking supported
|
|
E3L039574
BDB039574
|
BDBM756573
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ncoc34)CC2)c(C)n1
|
C23H24N6O3 432.484000 |
RPKXUUJKDYPTNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756573; PubChem:CID172560180
|
Local ready
Direct docking supported
|
|
E3L039575
BDB039575
|
BDBM756574
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ocnc34)CC2)c(C)n1
|
C23H24N6O3 432.484000 |
QCLFBONAEPLEPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756574; PubChem:CID169781892
|
Local ready
Direct docking supported
|
|
E3L039576
BDB039576
|
BDBM756575
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)c3cscc34)CC2)c(C)n1
|
C24H24FN5O2S 465.554000 |
OIUDYISXHDWWQJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756575; PubChem:CID171572868
|
Local ready
Direct docking supported
|
|
E3L039577
BDB039577
|
BDBM756576
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3nc[nH]c34)CC2)c(C)n1
|
C23H25N7O2 431.500000 |
SQGQMSGVCWJLRD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756576; PubChem:CID169782271
|
Local ready
Direct docking supported
|
|
E3L039578
BDB039578
|
BDBM756577
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3ncn(C)c34)CC2)c(C)n1
|
C24H27N7O2 445.527000 |
XVLQVVUVDMKUEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756577; PubChem:CID169781345
|
Local ready
Direct docking supported
|
|
E3L039579
BDB039579
|
BDBM756578
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3c4ncn3C)CC2)c(C)n1
|
C24H27N7O2 445.527000 |
QJEVHECROSAYDS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756578; PubChem:CID172560133
|
Local ready
Direct docking supported
|
|
E3L039580
BDB039580
|
BDBM756579
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3oncc34)CC2)c(C)n1
|
C23H24N6O3 432.484000 |
KYLWEDKOOQGHOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756579; PubChem:CID169781751
|
Local ready
Direct docking supported
|