| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055061
BDB055061
|
BDBM50398353
CCC(=CCC(C)=O)C[C@]1(CC)C=C(CC)C(=CC(=O)OC)O1
|
C19H28O4 320.429000 |
RIABOOPPKRFHQI-LJQANCHMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50398353
|
Local ready
Direct docking supported
|
|
E3L055062
BDB055062
|
Uridine Monophosphate
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
|
C9H13N2O9P 324.182000 |
DJJCXFVJDGTHFX-XVFCMESISA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50398699; PubChem:CID6030
|
Local ready
Direct docking supported
|
|
E3L055063
BDB055063
|
Pfi-1
COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2
|
C16H17N3O4S 347.396000 |
TXZPMHLMPKIUGK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50399434; PubChem:CID71271629
|
Local ready
Direct docking supported
|
|
E3L055064
BDB055064
|
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CN1Cc2ccccc2NC1=O
|
C9H10N2O 162.192000 |
GINUUQLRYXHAPB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50399448; PubChem:CID3846558
|
Local ready
Direct docking supported
|
|
E3L055065
BDB055065
|
BDBM50399875
O=C(NCc1ccccc1Cn1cccc1C(=O)O)Nc1ccc(OC(F)(F)F)cc1
|
C21H18F3N3O4 433.386000 |
ZKZSAHPJTPQXFM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50399875; PubChem:CID71459228
|
Local ready
Direct docking supported
|
|
E3L055066
BDB055066
|
BDBM50399876
O=C(NCc1ccccc1Cn1cccc1C(=O)O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3
|
C24H29N3O3 407.514000 |
CTHKDKLREUOIGQ-AHSSAWHLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50399876
|
Local ready
Direct docking supported
|
|
E3L055067
BDB055067
|
BDBM50399877
O=C(NCc1ccc(Cn2cccc2C(=O)O)cc1)Nc1ccc(OC(F)(F)F)cc1
|
C21H18F3N3O4 433.386000 |
KTOMGZSLDNMWSS-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50399877; PubChem:CID71457371
|
Local ready
Direct docking supported
|
|
E3L055068
BDB055068
|
BDBM50399878
O=C(NCc1cccc(Cn2cccc2C(=O)O)c1)Nc1ccc(OC(F)(F)F)cc1
|
C21H18F3N3O4 433.386000 |
CAHGSGLGXVWQAT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50399878; PubChem:CID71462737
|
Local ready
Direct docking supported
|
|
E3L055069
BDB055069
|
BDBM50400735
CN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S
|
C14H11N3O2S 285.328000 |
JAEFLVKCBWNJSP-UXBLZVDNSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50400735
|
Local ready
Direct docking supported
|
|
E3L055070
BDB055070
|
Gsk 343
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C
|
C31H39N7O2 541.700000 |
ULNXAWLQFZMIHX-UHFFFAOYSA-N | O14686, Q03164, Q53H47, Q8NEZ4 | Histone-lysine N-methyltransferase 2C, Histone-lysine N-methyltransferase 2A, Histone-lysine N-methyltransferase 2D, Histone-lysine N-methyltransferase SETMAR |
BindingDB, PubChem
BindingDB:BDBM50400778; PubChem:CID71268957
|
Local ready
Direct docking supported
|
|
E3L055071
BDB055071
|
BDBM50400779
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1
|
C29H35N7O2 513.646000 |
BAVPIUIORBFWSR-UHFFFAOYSA-N | Q53H47 | Histone-lysine N-methyltransferase SETMAR |
BindingDB, PubChem
BindingDB:BDBM50400779; PubChem:CID67466175
|
Local ready
Direct docking supported
|
|
E3L055072
BDB055072
|
BDBM50400781
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c1cnn2C(C)C
|
C31H39N7O2 541.700000 |
WCKDYPHUXUBMEB-UHFFFAOYSA-N | Q53H47 | Histone-lysine N-methyltransferase SETMAR |
BindingDB, PubChem
BindingDB:BDBM50400781; PubChem:CID54596764
|
Local ready
Direct docking supported
|
|
E3L055073
BDB055073
|
BDBM50400809
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H]1COCCCCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C43H68N8O9 841.064000 |
HEWWAJMJWQKNBQ-GQHTXVQESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50400809
|
Local ready
Direct docking supported
|
|
E3L055074
BDB055074
|
BDBM50400810
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H]1COCCCCCCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C45H72N8O9 869.118000 |
NZBAMXNEPTUAMY-LCEATMEMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50400810
|
Local ready
Direct docking supported
|
|
E3L055075
BDB055075
|
BDBM50400811
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1Cc2cn(cn2)CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCc1ccccn1
|
C49H69N9O7 896.147000 |
FZXRAACZARFACA-HVEMRWCMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50400811
|
Local ready
Direct docking supported
|
|
E3L055076
BDB055076
|
BDBM50400812
CC(C)(C)C(=O)NCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C34H51N5O9 673.808000 |
WUVRKKRJWPSCTF-KJNQLLBQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50400812
|
Local ready
Direct docking supported
|
|
E3L055077
BDB055077
|
BDBM50400813
O=C1CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N[C@@H]2CN3CCC2CC3)CO1
|
C39H59N5O8 725.928000 |
KUQRLGWOANPHCW-OUOPBPENSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50400813
|
Local ready
Direct docking supported
|
|
E3L055078
BDB055078
|
BDBM50400814
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H]1COCCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C41H64N8O9 813.010000 |
USJCRZFFCXHFGL-PHWOEFBHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50400814
|
Local ready
Direct docking supported
|
|
E3L055079
BDB055079
|
BDBM50401008
CCCCCCCN(CCc1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C31H36N2O4 500.639000 |
CSFPOCDMBLMFTM-LJAQVGFWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50401008; PubChem:CID56945388
|
Local ready
Direct docking supported
|
|
E3L055080
BDB055080
|
BDBM50401009
CCCCCCCN(CCc1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C31H36N2O4 500.639000 |
CSFPOCDMBLMFTM-GDLZYMKVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50401009; PubChem:CID56945264
|
Local ready
Direct docking supported
|