| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005641
BDB005641
|
BDBM130185
CCNCc1cc(OCC)c2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H23N3O2 301.390000 |
UTORGBHFLOVLDJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130185; PubChem:CID67381506
|
Local ready
Direct docking supported
|
|
E3L005642
BDB005642
|
BDBM130186
COc1cc(CO)cc2[nH]c(=O)c3c(c12)NCCC3
|
C14H16N2O3 260.293000 |
PLZRYMRKNICVCA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130186; PubChem:CID58424867
|
Local ready
Direct docking supported
|
|
E3L005643
BDB005643
|
BDBM130187
COc1cc(CN2CCSCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H23N3O2S 345.468000 |
YNXOEUYHEZLUGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130187; PubChem:CID58424974
|
Local ready
Direct docking supported
|
|
E3L005644
BDB005644
|
BDBM130188
COc1cc(CNCCN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H28N4O3 372.469000 |
DKBDKMBSSBGKTN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130188; PubChem:CID67381207
|
Local ready
Direct docking supported
|
|
E3L005645
BDB005645
|
BDBM130189
COc1cc(CN2CCC(N3CCOCC3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C23H32N4O3 412.534000 |
POZFIPZQPRMMSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130189; PubChem:CID58424998
|
Local ready
Direct docking supported
|
|
E3L005646
BDB005646
|
BDBM130190
COc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3
|
C14H17N3O2 259.309000 |
ZHPJHGVFRRVHAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130190; PubChem:CID58425020
|
Local ready
Direct docking supported
|
|
E3L005647
BDB005647
|
BDBM130191
CCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H25N3O2 315.417000 |
LTPWQNAJIGIQFZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130191; PubChem:CID58425014
|
Local ready
Direct docking supported
|
|
E3L005648
BDB005648
|
BDBM130192
CCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H27N3O3 357.454000 |
KAVDDJPIZFZXAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130192; PubChem:CID58424868
|
Local ready
Direct docking supported
|
|
E3L005649
BDB005649
|
BDBM130193
NCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C13H15N3O 229.283000 |
HGXZCQVOJVVCSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130193; PubChem:CID58424958
|
Local ready
Direct docking supported
|
|
E3L005650
BDB005650
|
BDBM130194
CCOc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3
|
C15H19N3O2 273.336000 |
UAEDODMLGIUTOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130194; PubChem:CID58425001
|
Local ready
Direct docking supported
|
|
E3L005651
BDB005651
|
BDBM130195
CCCOc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3
|
C16H21N3O2 287.363000 |
XSAOVKCGLXEURS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130195; PubChem:CID58424912
|
Local ready
Direct docking supported
|
|
E3L005652
BDB005652
|
BDBM130196
COc1cc(CN(C)C2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H27N3O3 357.454000 |
DYAMOFJDHZYCRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130196; PubChem:CID58424989
|
Local ready
Direct docking supported
|
|
E3L005653
BDB005653
|
BDBM130197
COCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
|
C18H25N3O3 331.416000 |
SLSLTQLPRQLDIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130197; PubChem:CID58424931
|
Local ready
Direct docking supported
|
|
E3L005654
BDB005654
|
BDBM130198
COCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
|
C20H27N3O4 373.453000 |
DIKHRLINUOJLRM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130198; PubChem:CID58424904
|
Local ready
Direct docking supported
|
|
E3L005655
BDB005655
|
Staurosporine
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C28H26N4O3 466.541000 |
HKSZLNNOFSGOKW-FYTWVXJKSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM130909; PubChem:CID44259
|
Local ready
Direct docking supported
|
|
E3L005656
BDB005656
|
BDBM135102
Cc1c(C(=O)O)nc(N[C@H](C)C2CCC2)c2c1nc(-c1cc(C(C)C)ccn1)n2Cc1ccc(C(F)(F)F)cc1
|
C30H32F3N5O2 551.613000 |
LXQKWZSKYQEDSA-GOSISDBHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135102; PubChem:CID86724466
|
Local ready
Direct docking supported
|
|
E3L005657
BDB005657
|
BDBM135103
CC(C)c1ccnc(-c2nc3cc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C29H30F3N5O2 537.586000 |
UIJGFRZUSRWMSS-QGZVFWFLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135103; PubChem:CID90235975
|
Local ready
Direct docking supported
|
|
E3L005658
BDB005658
|
BDBM135104
Cc1cccc(-c2nc3cc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C28H27F3N4O2 508.544000 |
UUYMJIITKWMGPA-QGZVFWFLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135104; PubChem:CID90235365
|
Local ready
Direct docking supported
|
|
E3L005659
BDB005659
|
BDBM135105
Cc1ccc(Cn2c(-c3cc(C(C)C)ccn3)nc3cc(C(=O)O)nc(N[C@H](C)C4CCC4)c32)cc1
|
C29H33N5O2 483.616000 |
RUMZNVGWNBTXSP-LJQANCHMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135105; PubChem:CID90246785
|
Local ready
Direct docking supported
|
|
E3L005660
BDB005660
|
BDBM135106
C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
|
C31H32ClN7O3 586.096000 |
SYTZEKCWRJDEGS-DYLHXGEVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM135106
|
Local ready
Direct docking supported
|