| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063601
BDB063601
|
BDBM50622518
CCc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1
|
C24H28N2O5 424.497000 |
AQTQPWWZYYYRSY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50622518; PubChem:CID170066681
|
Local ready
Direct docking supported
|
|
E3L063602
BDB063602
|
BDBM50622519
Cc1cc(CN2C(=O)CN(c3ccc(C(C)C)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O
|
C25H30N2O5 438.524000 |
JOULTWATRYWKHA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50622519; PubChem:CID170066610
|
Local ready
Direct docking supported
|
|
E3L063603
BDB063603
|
BDBM50622520
Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OCC(=O)O
|
C21H19F3N2O5 436.386000 |
VXBVSCMZTWNXET-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50622520; PubChem:CID169748152
|
Local ready
Direct docking supported
|
|
E3L063604
BDB063604
|
BDBM50622521
Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)ccc1OC(C)(C)C(=O)O
|
C22H21F3N2O5 450.413000 |
IUCGEAQWFIADEL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50622521; PubChem:CID169748204
|
Local ready
Direct docking supported
|
|
E3L063605
BDB063605
|
BDBM50622522
Cc1cc(CN2C(=O)N(c3ccc(C(F)(F)F)cc3)C(C)(C)C2=O)cc(C)c1OC(C)(C)C(=O)O
|
C25H27F3N2O5 492.494000 |
KGBPUGNYBQXJGY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50622522; PubChem:CID169748473
|
Local ready
Direct docking supported
|
|
E3L063606
BDB063606
|
BDBM50622523
Cc1cc(CCCN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O
|
C25H27F3N2O5 492.494000 |
GAWFKJAKVCTNQZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50622523; PubChem:CID169748978
|
Local ready
Direct docking supported
|
|
E3L063607
BDB063607
|
BDBM50622524
Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(F)c3)C2=O)cc(C)c1OC(C)(C)C(=O)O
|
C23H22F4N2O5 482.430000 |
VWXCRYRQIUVDKT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50622524; PubChem:CID170066367
|
Local ready
Direct docking supported
|
|
E3L063608
BDB063608
|
BDBM50622525
COc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1
|
C23H26N2O6 426.469000 |
HBMMMUXNOKFUNX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50622525; PubChem:CID170066377
|
Local ready
Direct docking supported
|
|
E3L063609
BDB063609
|
BDBM50622526
Cc1cc(CN2C(=O)CN(c3ccc(F)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O
|
C22H23FN2O5 414.433000 |
QMOSOCDINGBZRO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50622526; PubChem:CID170067234
|
Local ready
Direct docking supported
|
|
E3L063610
BDB063610
|
BDBM50622527
Cc1cc(CN2C(=O)CN(c3ccccc3C(F)(F)F)C2=O)cc(C)c1OC(C)(C)C(=O)O
|
C23H23F3N2O5 464.440000 |
KPRBCJLTXNSTAL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50622527; PubChem:CID169725759
|
Local ready
Direct docking supported
|
|
E3L063611
BDB063611
|
BDBM50622528
Cc1cc(CN2C(=O)CN(c3ccc(S(C)(=O)=O)cc3)C2=O)cc(C)c1OC(C)(C)C(=O)O
|
C23H26N2O7S 474.535000 |
ITYMIRGASNNRFK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50622528; PubChem:CID170066614
|
Local ready
Direct docking supported
|
|
E3L063612
BDB063612
|
Anticancer agent 128
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(O)cccc21)C1CCCCC1
|
C26H38N4O4 470.614000 |
PDXPGFKIBOLVGG-HXGJMTJLSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50622536; PubChem:CID170901921
|
Local ready
Direct docking supported
|
|
E3L063613
BDB063613
|
Antitumor agent-101
C=CC(=O)N(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
|
C26H38N6O3 482.629000 |
GHCDVBSKNGUGCK-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50622555; PubChem:CID168476152
|
Local ready
Direct docking supported
|
|
E3L063614
BDB063614
|
BDBM50622561
CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
|
C43H41N9O7 795.857000 |
HKMUULSLHVOHMZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB
BindingDB:BDBM50622561
|
Local ready
Direct docking supported
|
|
E3L063615
BDB063615
|
BDBM50622562
CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
|
C44H43N9O7 809.884000 |
GRTUCEOYBLSCJP-UHFFFAOYSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM50622562
|
Local ready
Direct docking supported
|
|
E3L063616
BDB063616
|
BDBM50622563
CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
|
C45H45N9O7 823.911000 |
VQVZAQCNYUSBIJ-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50622563
|
Local ready
Direct docking supported
|
|
E3L063617
BDB063617
|
BDBM50622564
CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
|
C46H47N9O7 837.938000 |
HYHSJYMZWGTVLB-UHFFFAOYSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM50622564
|
Local ready
Direct docking supported
|
|
E3L063618
BDB063618
|
BDBM50622565
CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
|
C47H49N9O7 851.965000 |
AXPGRWCCCLWKQJ-UHFFFAOYSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM50622565
|
Local ready
Direct docking supported
|
|
E3L063619
BDB063619
|
BDBM50622566
CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
|
C48H51N9O7 865.992000 |
IDFDLTKSQGRMMG-UHFFFAOYSA-N | Q09472, Q92793 | CREB-binding protein, Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50622566
|
Local ready
Direct docking supported
|
|
E3L063620
BDB063620
|
BDBM50622567
CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NCCCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)nc5)ncc34)nn2C2CCOCC2)C1
|
C49H53N9O7 880.019000 |
GRCWKRCQBMPDDA-UHFFFAOYSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB
BindingDB:BDBM50622567
|
Local ready
Direct docking supported
|