| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005981
BDB005981
|
BDBM138305
NC(=O)c1cccc2c1C(=O)N(C1CCN(C3CCC4(CC3)OCCO4)CC1)C2
|
C22H29N3O4 399.491000 |
VDHNNDGVTZVKBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138305; PubChem:CID50943016
|
Local ready
Direct docking supported
|
|
E3L005982
BDB005982
|
BDBM138306
CN(C)c1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1
|
C23H28N4O2 392.503000 |
SIZUTXILIWZSBX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138306; PubChem:CID67194320
|
Local ready
Direct docking supported
|
|
E3L005983
BDB005983
|
BDBM138310
Cn1cccc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
|
C20H24N4O2 352.438000 |
RQJRYJMBMVWZEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138310; PubChem:CID50943090
|
Local ready
Direct docking supported
|
|
E3L005984
BDB005984
|
BDBM138311
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2
|
C22H22F3N3O2 417.431000 |
FRWIIFSPNRVERL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138311; PubChem:CID50943091
|
Local ready
Direct docking supported
|
|
E3L005985
BDB005985
|
BDBM138315
Cc1ccccc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
|
C22H25N3O2 363.461000 |
LVFBZVPGEPDXOE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138315; PubChem:CID50943161
|
Local ready
Direct docking supported
|
|
E3L005986
BDB005986
|
BDBM138317
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccc(Br)c3)CC1)C2
|
C21H22BrN3O2 428.330000 |
QPPJBNCZSPEBMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138317; PubChem:CID67191629
|
Local ready
Direct docking supported
|
|
E3L005987
BDB005987
|
BDBM138318
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc(Br)cc3)CC1)C2
|
C21H22BrN3O2 428.330000 |
UZWHCDLHNJMQBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138318; PubChem:CID50943163
|
Local ready
Direct docking supported
|
|
E3L005988
BDB005988
|
BDBM138319
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2
|
C22H22F3N3O2 417.431000 |
HRVLKKDUPMXUNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138319; PubChem:CID50943164
|
Local ready
Direct docking supported
|
|
E3L005989
BDB005989
|
BDBM138321
Cc1cccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
|
C22H25N3O2 363.461000 |
ITESAINVLAOGRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138321; PubChem:CID50943240
|
Local ready
Direct docking supported
|
|
E3L005990
BDB005990
|
BDBM138324
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccc4[nH]ccc34)CC1)C2
|
C23H24N4O2 388.471000 |
ZAILEKMOQXHRQJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138324; PubChem:CID50943243
|
Local ready
Direct docking supported
|
|
E3L005991
BDB005991
|
BDBM138325
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc4[nH]ccc4c3)CC1)C2
|
C23H24N4O2 388.471000 |
WFMWDGUOCLWPNZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138325; PubChem:CID50943244
|
Local ready
Direct docking supported
|
|
E3L005992
BDB005992
|
BDBM138327
Cc1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1
|
C22H25N3O2 363.461000 |
AHFNDPZJODGJTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138327; PubChem:CID50943321
|
Local ready
Direct docking supported
|
|
E3L005993
BDB005993
|
BDBM138342
Cc1ccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1
|
C23H27N3O2 377.488000 |
BIQGCSULLOYSIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138342; PubChem:CID50943478
|
Local ready
Direct docking supported
|
|
E3L005994
BDB005994
|
BDBM138344
Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
|
C23H27N3O2 377.488000 |
CJNLSQVARWMQSJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138344; PubChem:CID50943479
|
Local ready
Direct docking supported
|
|
E3L005995
BDB005995
|
BDBM138347
COCCN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1
|
C17H23N3O3 317.389000 |
DYBBOUMPDJICSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138347; PubChem:CID67194062
|
Local ready
Direct docking supported
|
|
E3L005996
BDB005996
|
Nms-P118
NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2
|
C20H24F3N3O2 395.425000 |
ARYVAQSYRLZVQD-UHFFFAOYSA-N | O14965, P09874 | Poly [ADP-ribose] polymerase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM138348; PubChem:CID49843531
|
Local ready
Direct docking supported
|
|
E3L005997
BDB005997
|
BDBM138350
NC(=O)c1cc(Cl)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2
|
C20H24ClF2N3O2 411.880000 |
MDAVOHPUDVLWCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138350; PubChem:CID67189726
|
Local ready
Direct docking supported
|
|
E3L005998
BDB005998
|
BDBM138351
NC(=O)c1ccc(F)c2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2
|
C20H24F3N3O2 395.425000 |
MSLJBNUZYHPJBH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138351; PubChem:CID50942807
|
Local ready
Direct docking supported
|
|
E3L005999
BDB005999
|
BDBM138354
NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(Cl)(Cl)CC3)CC1)C2
|
C20H24Cl2FN3O2 428.335000 |
CXTSPYBVOJLLFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM138354; PubChem:CID56650290
|
Local ready
Direct docking supported
|
|
E3L006000
BDB006000
|
BDBM139055
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)NCCCCCCCCNC(=O)N2CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@@H](NC(=O)[C@H](C)NC)C2)CC[C@H]2CCC(C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C64H86N12O8 1151.468000 |
HLFSVLWTUQVBNO-IICSQRIHSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM139055
|
Local ready
Direct docking supported
|