| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008481
BDB008481
|
BDBM207979
CN1C(=O)C(c2c[nH]c3cc(Cl)ccc23)=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1
|
C26H19Cl3N2O2 497.809000 |
XVUROUOSSDLDGS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207979; PubChem:CID123133401
|
Local ready
Direct docking supported
|
|
E3L008482
BDB008482
|
BDBM207980
CN1C(=O)C(c2ccc(Cl)cc2)=C(c2cn(C)c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1
|
C27H21Cl3N2O2 511.836000 |
HJRYLJCJRYOUJE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207980; PubChem:CID123133402
|
Local ready
Direct docking supported
|
|
E3L008483
BDB008483
|
BDBM207981
CN1C(=O)C(c2cn(C)c3cc(Cl)ccc23)=C(c2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1
|
C27H21Cl3N2O2 511.836000 |
WOBXBPKIDBJQJT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207981; PubChem:CID123133403
|
Local ready
Direct docking supported
|
|
E3L008484
BDB008484
|
BDBM207982
O=C1C(c2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C(O)N1Cc1ccc(Cl)cc1
|
C25H17Cl3N2O2 483.782000 |
MEAOPOYHSMRXCD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207982; PubChem:CID123133404
|
Local ready
Direct docking supported
|
|
E3L008485
BDB008485
|
BDBM207983
O=C1C(c2c[nH]c3cc(Cl)ccc23)=C(c2ccc(Cl)cc2)C(O)N1Cc1ccc(Cl)cc1
|
C25H17Cl3N2O2 483.782000 |
RBSKNKJRQPLJQW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207983; PubChem:CID123133405
|
Local ready
Direct docking supported
|
|
E3L008486
BDB008486
|
BDBM207984
O=C1OC(O)(Cc2ccc(Cl)cc2)C(c2c[nH]c3cc(Cl)ccc23)=C1Cc1ccc(Cl)cc1
|
C26H18Cl3NO3 498.793000 |
MLBSWDQJORDIOB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207984; PubChem:CID123133406
|
Local ready
Direct docking supported
|
|
E3L008487
BDB008487
|
BDBM207985
O=C1OC(O)(Cc2ccc(Cl)cc2)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12
|
C26H18Cl3NO3 498.793000 |
MQUDOLGFLXRQKO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207985; PubChem:CID123133407
|
Local ready
Direct docking supported
|
|
E3L008488
BDB008488
|
BDBM207986
O=C1OC(O)(Cc2ccc(F)cc2)C(c2c[nH]c3cc(Cl)ccc23)=C1Cc1ccc(Cl)cc1
|
C26H18Cl2FNO3 482.338000 |
WFTKRWRIXZPPCM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207986; PubChem:CID123133408
|
Local ready
Direct docking supported
|
|
E3L008489
BDB008489
|
BDBM207987
O=C1OC(O)(Cc2ccc(F)cc2)C(Cc2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12
|
C26H18Cl2FNO3 482.338000 |
PVDXJWNFXHRQFM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207987; PubChem:CID123133409
|
Local ready
Direct docking supported
|
|
E3L008490
BDB008490
|
BDBM207988
O=C1OC(O)(Cc2ccc(Cl)cc2)C(c2c[nH]c3cc(Cl)ccc23)=C1c1ccc(Cl)cc1
|
C25H16Cl3NO3 484.766000 |
FUXBPYVZQCEBLE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207988; PubChem:CID123133410
|
Local ready
Direct docking supported
|
|
E3L008491
BDB008491
|
BDBM207989
O=C1OC(O)(Cc2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=C1c1c[nH]c2cc(Cl)ccc12
|
C25H16Cl3NO3 484.766000 |
JMFALLAVSOVNHK-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207989; PubChem:CID123133411
|
Local ready
Direct docking supported
|
|
E3L008492
BDB008492
|
BDBM208004
CCc1ccc(Cl)c(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C28H27ClF3N5O2 558.004000 |
HVZVCDQUQRBYFF-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM208004; PubChem:CID77847201
|
Local ready
Direct docking supported
|
|
E3L008493
BDB008493
|
BDBM209336
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N
|
C25H29N7O5 507.551000 |
LGFNXKJQQVMYQI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209336; PubChem:CID118036821
|
Local ready
Direct docking supported
|
|
E3L008494
BDB008494
|
BDBM209853
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2C(F)(F)F)C1
|
C22H16F4N6O2 472.402000 |
YKRHDVRJUDSJQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM209853; PubChem:CID56833254
|
Local ready
Direct docking supported
|
|
E3L008495
BDB008495
|
BDBM209854
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2cccc2C1
|
C23H19FN4O2 402.429000 |
JPYXQNYTOSHIAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM209854; PubChem:CID56833255
|
Local ready
Direct docking supported
|
|
E3L008496
BDB008496
|
BDBM209855
COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2
|
C25H19F4N5O4 529.450000 |
HIIJWJUIQSSMSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM209855; PubChem:CID56833302
|
Local ready
Direct docking supported
|
|
E3L008497
BDB008497
|
BDBM209856
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCn2c(nnc2C(F)(F)F)C1
|
C22H17F3N6O2 454.412000 |
GFQHOURETBJHTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM209856; PubChem:CID56832630
|
Local ready
Direct docking supported
|
|
E3L008498
BDB008498
|
Fuzuloparib
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1
|
C22H16F4N6O2 472.402000 |
XJGXCBHXFWBOTN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM209857; PubChem:CID56649297
|
Local ready
Direct docking supported
|
|
E3L008499
BDB008499
|
Xl-228
CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCN(C)CC3)n2)on1
|
C22H31N9O 437.552000 |
ALKJNCZNEOTEMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209859; PubChem:CID59757974
|
Local ready
Direct docking supported
|
|
E3L008500
BDB008500
|
Tak-901
CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1
|
C28H32N4O3S 504.656000 |
WKDACQVEJIVHMZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209861; PubChem:CID16124208
|
Local ready
Direct docking supported
|