| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063781
BDB063781
|
BDBM50626782
COC(=O)c1ccc(NC(=O)CCC(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1
|
C32H24Cl3FN2O5 641.910000 |
WWRMHOUDRPTEIJ-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50626782; PubChem:CID172444321
|
Local ready
Direct docking supported
|
|
E3L063782
BDB063782
|
BDBM50626783
COC(=O)c1ccc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1
|
C29H19Cl3FNO4 570.831000 |
FOJBUJQMVNWIIV-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50626783; PubChem:CID172441118
|
Local ready
Direct docking supported
|
|
E3L063783
BDB063783
|
BDBM50626784
O=C(O)c1ccc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2Cl)cc1
|
C28H17Cl3FNO4 556.804000 |
DILNOVPXGAIPHO-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50626784; PubChem:CID172452328
|
Local ready
Direct docking supported
|
|
E3L063784
BDB063784
|
BDBM50626785
NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(Br)o5)CC4)cc3)nc12
|
C24H20BrN5O4 522.359000 |
LVFSRLVHTBFDKJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626785; PubChem:CID164900107
|
Local ready
Direct docking supported
|
|
E3L063785
BDB063785
|
BDBM50626786
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)c3cc(C)c(C)cc3O2)cc1
|
C26H26N2O5S 478.570000 |
CHVBKZCNNABZHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626786; PubChem:CID172465673
|
Local ready
Direct docking supported
|
|
E3L063786
BDB063786
|
BDBM50626787
O=C(NN1CCCC1)c1cc(Cc2n[nH]c(=O)c3cccnc23)ccc1F
|
C19H18FN5O2 367.384000 |
WAOKTBQUESYAHD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626787; PubChem:CID172454771
|
Local ready
Direct docking supported
|
|
E3L063787
BDB063787
|
BDBM50626788
Cc1cc(O)nn1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
|
C12H10N4O5S 322.302000 |
PKNBCAOALXLUQK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626788; PubChem:CID172466835
|
Local ready
Direct docking supported
|
|
E3L063788
BDB063788
|
BDBM50626789
Cc1cc(C)n(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1
|
C13H12N4O4S 320.330000 |
DQIOQHHMRDIBKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626789; PubChem:CID172471441
|
Local ready
Direct docking supported
|
|
E3L063789
BDB063789
|
BDBM50626790
CC1=C(NN)SC(NNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1C(=O)c1ccccc1
|
C19H19N7O5S2 489.539000 |
HZSRLSJKFRZNAS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626790; PubChem:CID172453720
|
Local ready
Direct docking supported
|
|
E3L063790
BDB063790
|
BDBM50626791
CC1=CSC(NNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)N1C(=O)c1ccccc1
|
C19H17N5O5S2 459.509000 |
CTQCMWMDGCNKCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626791; PubChem:CID172466116
|
Local ready
Direct docking supported
|
|
E3L063791
BDB063791
|
BDBM50626792
CC(=O)C1=C(C)N(C(=O)c2ccccc2)C(NNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)S1
|
C21H19N5O6S2 501.546000 |
AXMBLTAIYGEPNC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626792; PubChem:CID172451091
|
Local ready
Direct docking supported
|
|
E3L063792
BDB063792
|
BDBM50626793
Oc1ccc(C2CNCc3c(O)cccc32)cc1O
|
C15H15NO3 257.289000 |
HURUDDHPAQPMLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626793; PubChem:CID12960322
|
Local ready
Direct docking supported
|
|
E3L063793
BDB063793
|
BDBM50626794
C[N+]1(C)CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(O)c(O)c1
|
C18H22NO4+ 316.377000 |
GVPVDOISXSALCI-CQSZACIVSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626794; PubChem:CID3246432
|
Local ready
Direct docking supported
|
|
E3L063794
BDB063794
|
BDBM50626795
C[N+]12CCc3cc(O)c(O)cc3C1Cc1cc3c(cc12)OCO3
|
C18H18NO4+ 312.345000 |
BGSWKBFUVPSJDF-UHFFFAOYSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50626795; PubChem:CID172464043
|
Local ready
Direct docking supported
|
|
E3L063795
BDB063795
|
BDBM50627082
Cc1cccc2c1CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)[C@@H]2CN1C(=O)c2ccccc2C1=O
|
C27H28N2O5 460.530000 |
AWFONHWHPMHOEM-XPWALMASSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50627082; PubChem:CID145955936
|
Local ready
Direct docking supported
|
|
E3L063796
BDB063796
|
BDBM50627083
COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccnc3)cc2)cc1
|
C18H17N3O5S2 419.484000 |
HUZXXSCLJBVIEV-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50627083; PubChem:CID162719902
|
Local ready
Direct docking supported
|
|
E3L063797
BDB063797
|
BDBM50627084
COc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)c(C)c(N(CC(=O)O)S(=O)(=O)c3cccnc3)c(C)c2C)cc1
|
C26H29N3O9S2 591.664000 |
YOLBLQAWKMWXFL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50627084; PubChem:CID172464146
|
Local ready
Direct docking supported
|
|
E3L063798
BDB063798
|
BDBM50627085
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3cccnc3)cc2)cc1
|
C22H21N3O9S2 535.556000 |
XHXHGTBWDVNVCU-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50627085; PubChem:CID172468926
|
Local ready
Direct docking supported
|
|
E3L063799
BDB063799
|
BDBM50627124
CCOc1cc([C@]2(c3nncn3C)C[C@@H](C)C2)cc(N2Cc3c(cc(CNC4(C)CCC4)cc3C(F)(F)F)C2=O)n1
|
C30H35F3N6O2 568.644000 |
UKFKDADMCDDXJG-HGBJFFEJSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B, Tyrosine-protein kinase Lck |
BindingDB
BindingDB:BDBM50627124
|
Local ready
Direct docking supported
|
|
E3L063800
BDB063800
|
BDBM50627125
Cn1cnnc1[C@]1(c2cccc(N3Cc4c(cc(CNC5(C)CCC5)cc4C(F)(F)F)C3=O)c2)C[C@H](Cl)C1
|
C28H29ClF3N5O 544.021000 |
UEPKOBLDGLEGJN-JKCYLYBBSA-N | Q13191 | Tyrosine-protein kinase Lck, E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM50627125
|
Local ready
Direct docking supported
|