| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065201
BDB065201
|
BDBM50648057
Cc1c(C(=O)NS(=O)(=O)N(C)C)cc(-c2ccc(Cl)c(Oc3cnccn3)c2)c2cc[nH]c12
|
C22H20ClN5O4S 485.953000 |
ZCEDSBRRQLSVCI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50648057; PubChem:CID169501681
|
Local ready
Direct docking supported
|
|
E3L065202
BDB065202
|
BDBM50648226
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
|
C54H88N16O17 1233.393000 |
UAYVWEHHNYALGR-MBYUFZISSA-N | Q53G59 | Kelch-like protein 12 |
BindingDB, PubChem
BindingDB:BDBM50648226; PubChem:CID177379136
|
Local ready
Direct docking supported
|
|
E3L065203
BDB065203
|
BDBM50648246
CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C\CCC[C@@](C)(C(=O)NCOCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N2CC(O)CC2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CCC(C)C)C(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O
|
C114H166N20O27 2248.695000 |
GQZQBHCXCMFVMI-TWLIWWBMSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50648246
|
Local ready
Direct docking supported
|
|
E3L065204
BDB065204
|
2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid
CC(C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C20H18O3 306.361000 |
JTWKEZBNKHBDAW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50648247; PubChem:CID327338
|
Local ready
Direct docking supported
|
|
E3L065205
BDB065205
|
(2R)-2-(4-naphthalen-1-ylphenoxy)propanoic acid
C[C@@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C19H16O3 292.334000 |
FCMNFGHUNVXXEJ-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50648248; PubChem:CID177379150
|
Local ready
Direct docking supported
|
|
E3L065206
BDB065206
|
(2S)-2-(4-naphthalen-1-ylphenoxy)propanoic acid
C[C@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C19H16O3 292.334000 |
FCMNFGHUNVXXEJ-ZDUSSCGKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648249; PubChem:CID177379151
|
Local ready
Direct docking supported
|
|
E3L065207
BDB065207
|
2-Methyl-2-(4-naphthalen-1-ylphenoxy)butanoic acid
CCC(C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C21H20O3 320.388000 |
XGKIRSQMAWQLFY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50648250; PubChem:CID177379152
|
Local ready
Direct docking supported
|
|
E3L065208
BDB065208
|
(2R)-2-methyl-2-(4-naphthalen-1-ylphenoxy)butanoic acid
CC[C@@](C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C21H20O3 320.388000 |
XGKIRSQMAWQLFY-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50648251; PubChem:CID177379153
|
Local ready
Direct docking supported
|
|
E3L065209
BDB065209
|
(2S)-2-methyl-2-(4-naphthalen-1-ylphenoxy)butanoic acid
CC[C@](C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C21H20O3 320.388000 |
XGKIRSQMAWQLFY-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648252; PubChem:CID177379154
|
Local ready
Direct docking supported
|
|
E3L065210
BDB065210
|
2-(4-Naphthalen-1-ylphenoxy)butanoic acid
CCC(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C20H18O3 306.361000 |
ZIKRVSNAQYDXRL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648253; PubChem:CID177379155
|
Local ready
Direct docking supported
|
|
E3L065211
BDB065211
|
(2R)-2-(4-naphthalen-1-ylphenoxy)butanoic acid
CC[C@@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C20H18O3 306.361000 |
ZIKRVSNAQYDXRL-LJQANCHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50648254; PubChem:CID177379156
|
Local ready
Direct docking supported
|
|
E3L065212
BDB065212
|
(2S)-2-(4-naphthalen-1-ylphenoxy)butanoic acid
CC[C@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C20H18O3 306.361000 |
ZIKRVSNAQYDXRL-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648255; PubChem:CID177379157
|
Local ready
Direct docking supported
|
|
E3L065213
BDB065213
|
3-Methyl-2-(4-naphthalen-1-ylphenoxy)butanoic acid
CC(C)C(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C21H20O3 320.388000 |
VYALNXIWBYSZNJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50648256; PubChem:CID177379158
|
Local ready
Direct docking supported
|
|
E3L065214
BDB065214
|
(2S)-3-methyl-2-(4-naphthalen-1-ylphenoxy)butanoic acid
CC(C)[C@H](Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O
|
C21H20O3 320.388000 |
VYALNXIWBYSZNJ-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648257; PubChem:CID177379159
|
Local ready
Direct docking supported
|
|
E3L065215
BDB065215
|
2-(4-Naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
CC(Oc1ccc(-c2cccc3ccccc23)cc1)(C(=O)O)c1ccccc1
|
C25H20O3 368.432000 |
RACIWMNCWUXKGH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648258; PubChem:CID177379160
|
Local ready
Direct docking supported
|
|
E3L065216
BDB065216
|
BDBM50648259
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2cccc3ccccc23)cc1
|
C25H20O3 368.432000 |
UDWUKDKWHIAYOW-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648259; PubChem:CID172053276
|
Local ready
Direct docking supported
|
|
E3L065217
BDB065217
|
BDBM50648615
COc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1OC
|
C25H21NO7 447.443000 |
KMEHSINIYSBYFT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648615; PubChem:CID177379412
|
Local ready
Direct docking supported
|
|
E3L065218
BDB065218
|
BDBM50648616
O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc(C(F)(F)F)cc1
|
C25H18F3NO5 469.415000 |
LJLGNPSPXNZOCN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50648616; PubChem:CID172419458
|
Local ready
Direct docking supported
|
|
E3L065219
BDB065219
|
BDBM50648946
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCNCc2cccc(Br)c2)[C@@H](O)[C@H]1O
|
C19H23BrN6O3S 495.403000 |
JGFTVBMOETWOQF-NVQRDWNXSA-N | O96028 | Histone-lysine N-methyltransferase NSD2 |
BindingDB, PubChem
BindingDB:BDBM50648946; PubChem:CID172908648
|
Local ready
Direct docking supported
|
|
E3L065220
BDB065220
|
BDBM50649044
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)n3cccc43)CC2)c(C)n1
|
C24H26N6O2 430.512000 |
GCYAKZZBZIDGIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50649044; PubChem:CID171572901
|
Local ready
Direct docking supported
|