| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008821
BDB008821
|
BDBM213878
Cc1ccc(Cl)c(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C27H25ClF3N5O2 543.977000 |
UZGVAAHONXBOQH-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213878; PubChem:CID118558916
|
Local ready
Direct docking supported
|
|
E3L008822
BDB008822
|
BDBM213879
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3ccc4c(c3)CCO4)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C28H26F3N5O3 537.542000 |
WZBUMNPGKMVKHG-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213879; PubChem:CID118558999
|
Local ready
Direct docking supported
|
|
E3L008823
BDB008823
|
BDBM213880
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cccc(C(F)(F)F)c3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C27H23F6N5O2 563.502000 |
BUXBMXZEEPWZLO-CQSZACIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213880; PubChem:CID90325607
|
Local ready
Direct docking supported
|
|
E3L008824
BDB008824
|
BDBM213881
COc1cc(C)cc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C28H28F3N5O3 539.558000 |
MJRUKTGOFVRNBW-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213881; PubChem:CID90318214
|
Local ready
Direct docking supported
|
|
E3L008825
BDB008825
|
BDBM213882
COc1cc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)ccc1Cl
|
C27H25ClF3N5O3 559.976000 |
NNMMJTGNAOSLLA-CQSZACIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213882; PubChem:CID90325521
|
Local ready
Direct docking supported
|
|
E3L008826
BDB008826
|
BDBM213883
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3ccc4c(c3)OCCN4C)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C29H29F3N6O3 566.584000 |
WVBDBMMKKCVCDG-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213883; PubChem:CID118558990
|
Local ready
Direct docking supported
|
|
E3L008827
BDB008827
|
BDBM213884
Cc1cccc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1C
|
C28H28F3N5O2 523.559000 |
IFIJIGUWZHHALH-QGZVFWFLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213884; PubChem:CID90320133
|
Local ready
Direct docking supported
|
|
E3L008828
BDB008828
|
BDBM213886
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C34H40F3N5O2 607.721000 |
DTXJDEDSWYTXCY-LJQANCHMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213886; PubChem:CID90325524
|
Local ready
Direct docking supported
|
|
E3L008829
BDB008829
|
BDBM213887
Cc1cc(OC(F)(F)F)ccc1-c1nc2nc(C(=O)O)nc(N[C@H](C)C3CCC3)c2n1Cc1ccc(C(F)(F)F)cc1
|
C28H25F6N5O3 593.528000 |
MHCLOSXSQVRFQI-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213887; PubChem:CID90320052
|
Local ready
Direct docking supported
|
|
E3L008830
BDB008830
|
BDBM213890
O=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C18H18FN3O2 327.359000 |
VNVAMXXJQPLBFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213890; PubChem:CID25007229
|
Local ready
Direct docking supported
|
|
E3L008831
BDB008831
|
BDBM213891
O=C1CCN1c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C17H16FN3O2 313.332000 |
YZVYTBRTGNVMFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213891; PubChem:CID59755767
|
Local ready
Direct docking supported
|
|
E3L008832
BDB008832
|
BDBM213892
O=C1CCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H20FN3O2 341.386000 |
GWOBEUQZAWARGN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213892; PubChem:CID25006090
|
Local ready
Direct docking supported
|
|
E3L008833
BDB008833
|
BDBM213893
O=C1CCCN1c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C18H18FN3O2 327.359000 |
WDYJVIZMWQPCAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213893; PubChem:CID25002577
|
Local ready
Direct docking supported
|
|
E3L008834
BDB008834
|
BDBM213894
NCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C17H20N4O2 312.373000 |
JPGAICHOIDVIQB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213894; PubChem:CID59830120
|
Local ready
Direct docking supported
|
|
E3L008835
BDB008835
|
BDBM213895
NCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C17H19FN4O2 330.363000 |
HDGYJISUWFYFTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213895; PubChem:CID25006087
|
Local ready
Direct docking supported
|
|
E3L008836
BDB008836
|
BDBM213896
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)C1CNC1
|
C19H22N4O2 338.411000 |
ZUEKLDWXQATXFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213896; PubChem:CID59830113
|
Local ready
Direct docking supported
|
|
E3L008837
BDB008837
|
BDBM213897
O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)C1CNC1
|
C19H21FN4O2 356.401000 |
JSBBKNLIIQFNOK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213897; PubChem:CID25006091
|
Local ready
Direct docking supported
|
|
E3L008838
BDB008838
|
BDBM213898
COc1ccc(C(=O)CCC(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C26H27N3O4 445.519000 |
AMCZIPHXRVMECL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213898; PubChem:CID59755761
|
Local ready
Direct docking supported
|
|
E3L008839
BDB008839
|
BDBM213899
COc1ccc(C(=O)CCC(=O)Nc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)cc1
|
C26H26FN3O4 463.509000 |
BQDKGYHLBBLGAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213899; PubChem:CID25006845
|
Local ready
Direct docking supported
|
|
E3L008840
BDB008840
|
BDBM213900
O=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C19H21N3O2 323.396000 |
NGUPYQTYOPNTLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213900; PubChem:CID59755745
|
Local ready
Direct docking supported
|