| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046361
BDB046361
|
BDBM50131510
CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C31H35NO5S 533.690000 |
KOORCTXLJYXCCH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131510; PubChem:CID91932625
|
Local ready
Direct docking supported
|
|
E3L046362
BDB046362
|
BDBM50131511
CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C27H25Cl2NO5S 546.472000 |
LKZVJLXEKACWQI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131511; PubChem:CID91932626
|
Local ready
Direct docking supported
|
|
E3L046363
BDB046363
|
BDBM50131512
CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H28ClNO5S 526.054000 |
MBUDDRRMKPSTCA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50131512; PubChem:CID54064165
|
Local ready
Direct docking supported
|
|
E3L046364
BDB046364
|
BDBM50131513
CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C33H31NO5S 553.680000 |
VENZZNNGLSOQJB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131513; PubChem:CID91932627
|
Local ready
Direct docking supported
|
|
E3L046365
BDB046365
|
BDBM50131514
CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C27H27NO6S 493.581000 |
BPWKFNMWSQKNDV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131514; PubChem:CID91932628
|
Local ready
Direct docking supported
|
|
E3L046366
BDB046366
|
BDBM50131515
CCCc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C31H35NO5S 533.690000 |
VDSVCAURRGZKMM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50131515; PubChem:CID91932629
|
Local ready
Direct docking supported
|
|
E3L046367
BDB046367
|
BDBM50131684
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(C3(O)CCCC3)nn2)C(C)C)C(C)C)ccc1OC
|
C37H63N5O6 673.940000 |
DFUROFFKMLEYOX-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131684
|
Local ready
Direct docking supported
|
|
E3L046368
BDB046368
|
BDBM50131685
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(C(C)O)nn2)C(C)C)C(C)C)ccc1OC
|
C34H59N5O6 633.875000 |
MIYPSDMAPABENV-JEODSLTMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131685
|
Local ready
Direct docking supported
|
|
E3L046369
BDB046369
|
BDBM50131686
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CCO)nn2)C(C)C)C(C)C)ccc1OC
|
C34H59N5O6 633.875000 |
PRXDOJCFLRALDE-SYKYGTKKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131686
|
Local ready
Direct docking supported
|
|
E3L046370
BDB046370
|
BDBM50131687
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CO)nn2)C(C)C)C(C)C)ccc1OC
|
C33H57N5O6 619.848000 |
DZXSLGDQAACFFD-AMEOFWRWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131687
|
Local ready
Direct docking supported
|
|
E3L046371
BDB046371
|
BDBM50131689
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CN(C(C)C)C(C)C)nn2)C(C)C)C(C)C)ccc1OC
|
C39H70N6O5 703.026000 |
FQUOCQKTHZOBIY-OZFLXDGESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131689
|
Local ready
Direct docking supported
|
|
E3L046372
BDB046372
|
BDBM50131690
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(-c3ccccn3)nn2)C(C)C)C(C)C)ccc1OC
|
C37H58N6O5 666.908000 |
OTNGYUMGNRCOJM-ZGDGUDBWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131690
|
Local ready
Direct docking supported
|
|
E3L046373
BDB046373
|
BDBM50131691
CCN(CC)Cc1cn(CC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)C(C)C)nn1
|
C37H66N6O5 674.972000 |
ZPQNZPPELZMNMV-BBXFGWPUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131691
|
Local ready
Direct docking supported
|
|
E3L046374
BDB046374
|
BDBM50131693
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(-c3ccc(C)cc3)nn2)C(C)C)C(C)C)ccc1OC
|
C39H61N5O5 679.947000 |
IZWVWOMAVBZYHE-TUCRWICHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131693
|
Local ready
Direct docking supported
|
|
E3L046375
BDB046375
|
BDBM50131694
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CN(C)C)nn2)C(C)C)C(C)C)ccc1OC
|
C35H62N6O5 646.918000 |
MPVBCLQFBMOYDG-QBCKSJLUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131694
|
Local ready
Direct docking supported
|
|
E3L046376
BDB046376
|
BDBM50131695
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CN3CCOCC3)nn2)C(C)C)C(C)C)ccc1OC
|
C37H64N6O6 688.955000 |
RGHXYNJPTFORLT-BBXFGWPUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131695
|
Local ready
Direct docking supported
|
|
E3L046377
BDB046377
|
BDBM50131696
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc(CN3CCCCC3)nn2)C(C)C)C(C)C)ccc1OC
|
C38H66N6O5 686.983000 |
XIGMCYKBDUOJAR-DYTOPAQESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50131696
|
Local ready
Direct docking supported
|
|
E3L046378
BDB046378
|
BDBM50131735
CCC(Cc1ccc(OC)c(CNCc2ccc(C(F)(F)F)cc2)c1)C(=O)O
|
C21H24F3NO3 395.421000 |
NPTBJNPCVZGQQD-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131735; PubChem:CID10916251
|
Local ready
Direct docking supported
|
|
E3L046379
BDB046379
|
BDBM50131736
CCC(Cc1ccc(OC)c(C(=O)NCc2ccc(-c3ccccc3)cc2)c1)C(=O)O
|
C26H27NO4 417.505000 |
SMGUXZWVZUOLCO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131736; PubChem:CID9888213
|
Local ready
Direct docking supported
|
|
E3L046380
BDB046380
|
BDBM50131737
CCC(Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)O
|
C22H25F3O3 394.433000 |
TYVNBJSZYWXLCK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50131737; PubChem:CID11090513
|
Local ready
Direct docking supported
|