| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057941
BDB057941
|
BDBM50499199
O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1
|
C26H31N5O4 477.565000 |
DGUFRRJUHIZTQE-AQYVVDRMSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50499199
|
Local ready
Direct docking supported
|
|
E3L057942
BDB057942
|
BDBM50499203
O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1
|
C28H33F3N4O2 514.592000 |
UUTHPYJPFVUVPN-OKDJAKQTSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50499203
|
Local ready
Direct docking supported
|
|
E3L057943
BDB057943
|
BDBM50499204
O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc([N+](=O)[O-])c1
|
C26H25N5O3 455.518000 |
IEOZVBDPTHRYGK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50499204; PubChem:CID10226185
|
Local ready
Direct docking supported
|
|
E3L057944
BDB057944
|
BDBM50499312
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1
|
C32H24Cl2N2O2 539.462000 |
GDRXLAIJWQVPDS-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50499312; PubChem:CID127035023
|
Local ready
Direct docking supported
|
|
E3L057945
BDB057945
|
BDBM50499313
Clc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc32)cc1
|
C29H20Cl2N2 467.399000 |
CMHGPSWEIRTQBC-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50499313; PubChem:CID127035024
|
Local ready
Direct docking supported
|
|
E3L057946
BDB057946
|
BDBM50499314
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1
|
C32H23Cl3N2O2 573.907000 |
FPPZGLSYXNOAJE-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50499314; PubChem:CID127035025
|
Local ready
Direct docking supported
|
|
E3L057947
BDB057947
|
BDBM50499315
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1
|
C32H23Cl2FN2O2 557.452000 |
ZRXQTBRFBXPOJD-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50499315; PubChem:CID127035026
|
Local ready
Direct docking supported
|
|
E3L057948
BDB057948
|
BDBM50499316
O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1
|
C30H19Cl2FN2O2 529.398000 |
LVIYPTZKDQNSNO-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50499316; PubChem:CID127035701
|
Local ready
Direct docking supported
|
|
E3L057949
BDB057949
|
BDBM50499317
O=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1
|
C36H32Cl2N4O2 623.584000 |
JGZBGIYKXKIGEC-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50499317; PubChem:CID127035702
|
Local ready
Direct docking supported
|
|
E3L057950
BDB057950
|
BDBM50499318
O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1
|
C30H20Cl2N2O2 511.408000 |
BCVQFRDWOARAGY-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50499318; PubChem:CID127035027
|
Local ready
Direct docking supported
|
|
E3L057951
BDB057951
|
A-971432
O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
|
C18H17Cl2NO3 366.244000 |
WAAWETUDFSIYSD-UHFFFAOYSA-N | O14965, P51617 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50499634; PubChem:CID46872626
|
Local ready
Direct docking supported
|
|
E3L057952
BDB057952
|
BDBM50499821
N#Cc1cccnc1N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C26H22N6O2 450.502000 |
ZDDPBFWHZOJFHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499821; PubChem:CID92045137
|
Local ready
Direct docking supported
|
|
E3L057953
BDB057953
|
AZ0108
C[C@H]1Cn2c(nnc2C(C)(F)F)CN1C(=O)c1cccc(C(F)(F)c2n[nH]c(=O)c3ccccc23)c1
|
C24H20F4N6O2 500.456000 |
NWGMIELHSCQGOG-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499822; PubChem:CID122423373
|
Local ready
Direct docking supported
|
|
E3L057954
BDB057954
|
BDBM50499823
N#Cc1cccnc1N1CCN(C(=O)c2cccc(C(O)c3n[nH]c(=O)c4ccccc34)c2)CC1
|
C26H22N6O3 466.501000 |
XDHIKOVGCSINSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499823; PubChem:CID127037778
|
Local ready
Direct docking supported
|
|
E3L057955
BDB057955
|
BDBM50499824
C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c1cccc(C(F)(F)c2n[nH]c(=O)c3ccccc23)c1
|
C23H17F5N6O2 504.419000 |
SRNBPLVNLYRSLY-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499824; PubChem:CID118704909
|
Local ready
Direct docking supported
|
|
E3L057956
BDB057956
|
BDBM50499825
C[C@H]1Cn2c(nnc2C(C)(C)C)CN1C(=O)c1cccc(C(F)(F)c2n[nH]c(=O)c3ccccc23)c1
|
C26H26F2N6O2 492.530000 |
XPOZGODXWKHLKI-HNNXBMFYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499825; PubChem:CID127041392
|
Local ready
Direct docking supported
|
|
E3L057957
BDB057957
|
BDBM50499826
N#Cc1cccnc1N1CCN(C(=O)c2cccc(Sc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C25H20N6O2S 468.542000 |
UKJLVPWUIUIEEL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499826; PubChem:CID127037761
|
Local ready
Direct docking supported
|
|
E3L057958
BDB057958
|
BDBM50499827
N#Cc1cccnc1N1CCN(C(=O)c2cccc(C(F)(F)c3n[nH]c(=O)c4ccccc34)c2)CC1
|
C26H20F2N6O2 486.482000 |
HYGCSJRRQMNUJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499827; PubChem:CID127037776
|
Local ready
Direct docking supported
|
|
E3L057959
BDB057959
|
BDBM50499828
N#Cc1cccnc1N1CCN(C(=O)c2cccc(C(F)c3n[nH]c(=O)c4ccccc34)c2)CC1
|
C26H21FN6O2 468.492000 |
KJGAIRRDFWMHPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499828; PubChem:CID127037779
|
Local ready
Direct docking supported
|
|
E3L057960
BDB057960
|
BDBM50499829
N#Cc1cccnc1N1CCN(C(=O)c2cccc(C(N)c3n[nH]c(=O)c4ccccc34)c2)CC1
|
C26H23N7O2 465.517000 |
VMMQLSBSRVJETC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50499829; PubChem:CID127037780
|
Local ready
Direct docking supported
|