| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050241
BDB050241
|
Necrostatin-1s
CN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O
|
C13H12ClN3O2 277.711000 |
WIKGAEMMNQTUGL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50263057; PubChem:CID643953
|
Local ready
Direct docking supported
|
|
E3L050242
BDB050242
|
BDBM50263058
Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1
|
C22H26N8O2 434.504000 |
KDCYOEAWXNGQEB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50263058; PubChem:CID137644276
|
Local ready
Direct docking supported
|
|
E3L050243
BDB050243
|
BDBM50263059
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1
|
C23H29N9O 447.547000 |
FXGOMJXGESCWPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50263059; PubChem:CID137656846
|
Local ready
Direct docking supported
|
|
E3L050244
BDB050244
|
BDBM50263651
CCOC(Cc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1)C(=O)O
|
C24H29NO4 395.499000 |
GMYIUNLDXMEBGL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263651; PubChem:CID44579211
|
Local ready
Direct docking supported
|
|
E3L050245
BDB050245
|
BDBM50263652
CCOC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O
|
C24H28ClNO4 429.944000 |
SBLZEXLDNURADT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263652; PubChem:CID25211874
|
Local ready
Direct docking supported
|
|
E3L050246
BDB050246
|
BDBM50263653
CCO[C@@H](Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O
|
C24H28ClNO4 429.944000 |
SBLZEXLDNURADT-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263653; PubChem:CID25104183
|
Local ready
Direct docking supported
|
|
E3L050247
BDB050247
|
BDBM50263654
CCOC(Cc1ccc(OCCN2CC=C(c3cccc(Cl)c3)CC2)cc1)C(=O)O
|
C24H28ClNO4 429.944000 |
IAJDNXGICCSUAS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263654; PubChem:CID44579212
|
Local ready
Direct docking supported
|
|
E3L050248
BDB050248
|
BDBM50263703
CCOC(Cc1ccc(OCCN2CC=C(c3ccccc3Cl)CC2)cc1)C(=O)O
|
C24H28ClNO4 429.944000 |
VXPOGOZJNPRXID-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263703; PubChem:CID44579252
|
Local ready
Direct docking supported
|
|
E3L050249
BDB050249
|
BDBM50263704
CCOC(Cc1ccc(OCCN2CC=C(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)O
|
C25H28F3NO4 463.496000 |
DORWILXWIYVQKT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263704; PubChem:CID44579253
|
Local ready
Direct docking supported
|
|
E3L050250
BDB050250
|
BDBM50263705
CCOC(Cc1ccc(OCCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O
|
C25H28F3NO4 463.496000 |
OKFKMKHSDAABJS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263705; PubChem:CID44579254
|
Local ready
Direct docking supported
|
|
E3L050251
BDB050251
|
BDBM50263706
CCOC(Cc1ccc(OCCN2CC=C(c3ccccc3C(F)(F)F)CC2)cc1)C(=O)O
|
C25H28F3NO4 463.496000 |
WSRNUWPUHUILDY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263706; PubChem:CID44579255
|
Local ready
Direct docking supported
|
|
E3L050252
BDB050252
|
BDBM50263747
CCOC(Cc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1)C(=O)O
|
C24H28FNO4 413.489000 |
KFVSCFDCFVZILC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263747; PubChem:CID44579288
|
Local ready
Direct docking supported
|
|
E3L050253
BDB050253
|
BDBM50263748
CCOC(Cc1ccc(OCCN2CC=C(c3ccc(OC)cc3)CC2)cc1)C(=O)O
|
C25H31NO5 425.525000 |
ZEQYJIZWUVJHMZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263748; PubChem:CID44579289
|
Local ready
Direct docking supported
|
|
E3L050254
BDB050254
|
BDBM50263749
CCOC(Cc1ccc(OCCN2CC=C(c3cccc(OC)c3)CC2)cc1)C(=O)O
|
C25H31NO5 425.525000 |
JRLWFORAFTYECE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263749; PubChem:CID44579290
|
Local ready
Direct docking supported
|
|
E3L050255
BDB050255
|
BDBM50263750
CCOC(Cc1ccc(OCCN2CC=C(c3ccccc3OC)CC2)cc1)C(=O)O
|
C25H31NO5 425.525000 |
TUWOUVIQRZQVNZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263750; PubChem:CID44579291
|
Local ready
Direct docking supported
|
|
E3L050256
BDB050256
|
BDBM50263796
CCOC(Cc1ccc(OCCN2CC=C(c3ccc(CC)cc3)CC2)cc1)C(=O)O
|
C26H33NO4 423.553000 |
CRGMTMNRXFVMLF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263796; PubChem:CID44579338
|
Local ready
Direct docking supported
|
|
E3L050257
BDB050257
|
BDBM50263797
CCCc1ccc(C2=CCN(CCOc3ccc(CC(OCC)C(=O)O)cc3)CC2)cc1
|
C27H35NO4 437.580000 |
HTOLVGPPGULDBD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263797; PubChem:CID44579339
|
Local ready
Direct docking supported
|
|
E3L050258
BDB050258
|
BDBM50263798
CCOC(Cc1ccc(OCCN2CC=C(c3cccc(Cl)c3Cl)CC2)cc1)C(=O)O
|
C24H27Cl2NO4 464.389000 |
SSJHLUNKPQNOJW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50263798; PubChem:CID44579340
|
Local ready
Direct docking supported
|
|
E3L050259
BDB050259
|
BDBM50263799
CCOC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3Cl)CC2)cc1)C(=O)O
|
C24H27Cl2NO4 464.389000 |
APDFSHNXNLFEDO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263799; PubChem:CID44579341
|
Local ready
Direct docking supported
|
|
E3L050260
BDB050260
|
BDBM50263847
CCOC(Cc1ccc(OCCN2CC=C(c3cc(Cl)ccc3Cl)CC2)cc1)C(=O)O
|
C24H27Cl2NO4 464.389000 |
REVYCIWOXCOREK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50263847; PubChem:CID44579390
|
Local ready
Direct docking supported
|